SCHEMBL123690

SCHEMBL123690

COc1c[c]c([N+](=O)[O-])cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
PTGS2 P35354 2/20 0.39
CYP19A1 P11511 2/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.38
VCP P55072 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
ERN1 O75460 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL1356676 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL28394133 0.84 PKM (0.40) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL21808035 0.84 HTT (0.38) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL6036448 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL17339179 0.84 HTT (0.38) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL28738082 0.84 HTT (0.38) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL28366695 0.84 TDP1 (0.51) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL9653355 0.84 MAPT (0.40) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL28401883 0.82 KDM4E (0.39) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2335862 0.82 MAPT (0.37) ALDH1A1MAPTCYP3A4HTTNPC1

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

Claimed or disclosed in 509 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116179554-A Conditional protein targeted degradation chimeric based on nucleic acid aptamer, and preparation method and application thereof 山东师范大学 2023-05-30 CN claimed
US-20220404349-A1 METHODS AND USES FOR REMOTELY TRIGGERED PROTEASE ACTIVITY MEASUREMENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-12-22 US claimed
EP-3310787-B9 TAGGABLE HETEROAROMATIC DRUGS AND CONJUGATES THEREOF UNIV RAMOT (IL) 2020-07-01 EP claimed
EP-3310787-B1 TAGGABLE HETEROAROMATIC DRUGS AND CONJUGATES THEREOF UNIV RAMOT (IL) 2020-01-29 EP claimed
US-20190144917-A1 METHODS AND USES FOR REMOTELY TRIGGERED PROTEASE ACTIVITY MEASUREMENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-05-16 US claimed
EP-3452407-A1 METHODS AND USES FOR REMOTELY TRIGGERED PROTEASE ACTIVITY MEASUREMENTS Massachusetts Institute Of Technology (US) 2019-03-13 EP claimed
WO-2017193070-A1 METHODS AND USES FOR REMOTELY TRIGGERED PROTEASE ACTIVITY MEASUREMENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-11-09 WO claimed
CN-107002293-A Pass through synthesis order-checking using pulse reading optical 艾比斯生物科学公司 2017-08-01 CN claimed
WO-2015107071-A1 GENETICALLY ENCODED SPIN LABEL Universität Konstanz (DE) 2015-07-23 WO claimed
CN-101591230-B 2,4-dyhydroxyl chalcone derivative, preparation method and application thereof TIANJIN INST PHARM RESEARCH 2013-10-30 CN claimed
EP-1492798-A1 N-(3-RIFAMYCINYL)-CARBAMATES, METHOD OF PREPARING THEM AND THEIR USE FOR TREATING AND PREVENTING TUBERCULOSIS UNIVERSITY OF LEICESTER (GB) 2005-01-05 EP claimed
WO-2003084965-A1 N-(3-RIFAMYCINYL)-CARBAMATES, METHOD OF PREPARING THEM AND THEIR USE FOR TREATING AND PREVENTING TUBERCULOSIS UFZ-UMWELTFORSCHUNGSZENTRUM LEIPZIG-HALLE GMBH (DE) 2003-10-16 WO claimed
EP-1140880-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP claimed
EP-0562025-B1 Compounds and their use in a binary synthesis strategy AFFYMETRIX INC (US) 2001-02-07 EP claimed
WO-2000039110-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
US-5451683-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. 1995-09-19 US claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP claimed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP claimed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO claimed