SCHEMBL96231

SCHEMBL96231

O=[C]c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 7/20 0.53
ACHE P22303 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 4/20 0.53
HSP90AA1 P07900 3/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
S1PR2 O95136 1/20 0.53
OPRK1 P41145 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
DDX3X O00571 1/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL28728423 0.85 TSHR (0.67) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL57152 0.82 VCAM1 (0.64) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL1477030 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL3743169 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL27744234 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL29913891 0.82 VCAM1 (0.64) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL8713178 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL195206 0.82 TSHR (0.61) TSHRLMNAALDH1A1ACHETDP1
Hydrochloric Acid SCHEMBL6614587 0.80 VCAM1 (0.62) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11850989 0.80 TSHR (0.59) TSHRLMNAALDH1A1ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
CN-115073534-B Synthesis method of emamectin benzoate 吴晓明 2023-09-19 CN claimed
CN-113121615-B Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2023-02-17 CN claimed
CN-115073534-A Synthetic method of emamectin benzoate 吴晓明 2022-09-20 CN claimed
CN-113277934-B Euphorbia lathyris diterpene derivatives with MDR reversion activity and application thereof 中国科学院成都生物研究所 2022-07-15 CN claimed
CN-113277934-A Euphorbia lathyris diterpene derivatives with MDR reversion activity and application thereof 中国科学院成都生物研究所 2021-08-20 CN claimed
CN-113121615-A Ferrocene boracic chiral diphosphine ligand and preparation method and application thereof 南方科技大学 2021-07-16 CN claimed
CN-112538053-A Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2021-03-23 CN claimed
CN-108727444-B Synthesis method of morphine-6-beta-D-glucuronide and intermediate compound thereof 宜昌人福药业有限责任公司 2020-10-23 CN claimed
CN-110627732-A Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof 同济大学 2019-12-31 CN claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
EP-0725787-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-08-14 EP claimed
WO-1996006853-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-03-07 WO claimed
EP-0284873-B1 SILYLATION METHOD GENERAL ELECTRIC COMPANY (US) 1993-09-01 EP claimed
EP-0178184-B1 PREPARATION OF AROMATIC CARBONYL COMPOUNDS RAYCHEM CORPORATION (a Delaware corporation) (US) 1993-04-28 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
CN-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4551263-A BLEACHES, DETERGENTS BAYER AKTIENGESELLSCHAFT (DE) 1985-11-05 US claimed