SCHEMBL78081

SCHEMBL78081

O=[N+]([O-])c1ccc(Cn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 1.00
KMT2A Q03164 2/20 0.73
CYP11B1 P15538 9/20 0.62
CYP11B2 P19099 8/20 0.62
CYP2A6 P11509 1/20 0.60
CYP2B6 P20813 1/20 0.60
ALDH1A1 P00352 1/20 0.58
POLB P06746 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
TBXAS1 P24557 1/20 0.57
QPCT Q16769 1/20 0.57
CYP4Z1 Q86W10 1/20 0.57
QPCTL Q9NXS2 1/20 0.57
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.56

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
SCHEMBL6495307 0.95 CYP19A1 (0.91) CYP19A1KMT2ACYP11B1CYP11B2CYP2A6
SCHEMBL9663626 0.84 CYP19A1 (1.00) CYP19A1KMT2ACYP11B1CYP11B2TBXAS1
SCHEMBL28140208 0.84 CYP19A1 (0.72) CYP19A1KMT2ACYP11B1CYP11B2ALDH1A1
Hydrochloric Acid SCHEMBL9663915 0.83 CYP19A1 (0.97) CYP19A1KMT2ACYP11B1CYP11B2TBXAS1
SCHEMBL31415763 0.83 CYP19A1 (0.70) CYP19A1KMT2ACYP11B1CYP11B2
SCHEMBL31415762 0.83 CYP19A1 (0.70) CYP19A1KMT2ACYP11B1CYP11B2
SCHEMBL27632062 0.83 CYP19A1 (0.69) CYP19A1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL1024261 0.82 CYP11B1 (0.84) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL5655099 0.82 CYP19A1 (0.84) CYP19A1KMT2ATBXAS1QPCT
SCHEMBL2660114 0.82 CYP19A1 (0.69) CYP19A1KMT2ACYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112581856-B Temperature indicating label 苏州和萃新材料有限公司 2022-07-19 CN claimed
CN-113789086-A High-temperature color-changing ink and label 江苏集萃智能液晶科技有限公司 2021-12-14 CN claimed
CN-109065832-B Method for growing protective layer on surface of metal negative electrode of secondary lithium battery 武汉船用电力推进装置研究所(中国船舶重工集团公司第七一二研究所) 2021-07-09 CN claimed
CN-112581856-A Temperature indicating label 苏州和萃新材料有限公司 2021-03-30 CN claimed
CN-110343205-A Side group functionalized polyisobutylene base thermoplastic elastomer and preparation method thereof 北京化工大学 2019-10-18 CN claimed
CN-109336756-A A kind of hydrogenation-dehalogenation method of halogenated aromatic 河南大学 2019-02-15 CN claimed
CN-109065832-A A method of in serondary lithium battery metal negative electrode surface growth protecting layer 武汉船用电力推进装置研究所(中国船舶重工集团公司第七二研究所) 2018-12-21 CN claimed
CN-105176528-B A kind of preparation method of nitrogen-doped carbon based quantum dot 中物院成都科学技术发展中心 2018-02-23 CN claimed
CN-104672145-B Glycalpyramide derivative and application thereof in preparing anticoccidial drug 广州英赛特生物技术有限公司 2017-04-12 CN claimed
CN-105176528-A Preparation method of nitrogen doped carbon based quantum dot UNIV CHENGDU 2015-12-23 CN claimed
CN-112581856-B Temperature indicating label 苏州和萃新材料有限公司 2022-07-19 CN disclosed
WO-2022050774-A1 NOVEL IMIDAZOLE DERIVATIVE SALT HAVING ANTIFUNGAL ACTIVITY, AND USE THEREOF 경희대학교 산학협력단 2022-03-10 WO disclosed
CN-113789086-A High-temperature color-changing ink and label 江苏集萃智能液晶科技有限公司 2021-12-14 CN disclosed
CN-109065832-B Method for growing protective layer on surface of metal negative electrode of secondary lithium battery 武汉船用电力推进装置研究所(中国船舶重工集团公司第七一二研究所) 2021-07-09 CN disclosed
CN-109336756-B Hydrogenation dehalogenation method of halogenated aromatic hydrocarbon 河南大学 2021-05-11 CN disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 WO disclosed
US-5510362-A VASOCONSTRUCTION MERCK, SHARP AND DOHME LIMITED (GB) 1996-04-23 US disclosed
WO-1993018029-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1993-09-16 WO disclosed
US-4632934-A THROMBOXANE SYNTHETASE INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 US disclosed