SCHEMBL8891

SCHEMBL8891

O=[C]COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
RECQL P46063 2/20 0.68
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.48
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17222825 0.85 NPC1 (0.49) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL11555838 0.84 RAB9A (0.66) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL22551751 0.84 RAB9A (0.66) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL5305798 0.83 NPC1 (0.74) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9187561 0.81 NPC1 (1.00) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9563300 0.80 RAB9A (0.60) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9642715 0.79 NPC1 (0.89) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL5304319 0.78 MEN1 (0.52) ALDH1A1TDP1KMT2AMEN1HTT
SCHEMBL6298723 0.78 KDM4E (0.41) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL23909596 0.78 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3374 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844846-B2 Styrylbenzothiazole derivatives and uses in imaging methods EMORY UNIVERSITY (US) 2023-12-19 US claimed
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US claimed
EP-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 EP claimed
US-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 US claimed
US-11072616-B2 Cyclic peptides targeting alpha-4-beta-7 integrin UNIVERSITE DE MONTREAL (CA) 2021-07-27 US claimed
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2020-07-09 US claimed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 EP claimed
US-10322104-B2 Disulfur bridge linkers for conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-06-18 US claimed
US-10292961-B2 Disulfur bridge linkers for conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-05-21 US claimed
US-10293055-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-05-21 US claimed
WO-1994014829-A1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1994-07-07 WO claimed
EP-0384523-B1 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE SPA (IT) 1994-06-01 EP claimed
US-5219988-A GEM-DIAMINO DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF RETRO-INVERSO PEPTIDES ENIRICERCHE S.P.A. (IT) 1993-06-15 US claimed
EP-0384523-A2 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE S.p.A. (IT) 1990-08-29 EP claimed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
US-4252952-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-02-24 US claimed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 US claimed
EP-0002680-A2 4-Spectinomycylamin and its physiologically acceptable salts, method of preparation and pharmaceutical products containing these substances Dr. Karl Thomae GmbH (DE) 1979-07-11 EP claimed
US-4117117-A TRIDECAPETIDE HAVING GASTRIN EFFECT MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1978-09-26 US claimed
US-4039536-A 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-08-02 US claimed