SCHEMBL81262

SCHEMBL81262

[N-]=[N+]=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 4/20 0.38
F2 P00734 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL7116056 0.97 CES2 (0.43) CES1CES2TSHRALDH1A1DAO
Methylene Chloride SCHEMBL8625445 0.90 ALDH1A1 (0.43) CES1CES2TSHRALDH1A1DAO
SCHEMBL17338761 0.86 KMT2A (0.54) ALDH1A1NAPRTCYP3A4L3MBTL1CYP2C19
SCHEMBL10187827 0.86 CES2 (0.36) CES1CES2TSHRALDH1A1DAO
SCHEMBL28832334 0.86 CES1 (0.37) CES1CES2TSHRALDH1A1DAO
SCHEMBL10783782 0.86 CES2 (0.54) CES1CES2TSHRALDH1A1CYP3A4
SCHEMBL10782051 0.86 CES2 (0.54) CES1CES2TSHRCYP3A4MAPT
Hexane SCHEMBL6829057 0.84 CES2 (0.47) CES1CES2ATM
Ether SCHEMBL18627952 0.82 ATM (0.36) CES1CES2TSHRALDH1A1MAPT
SCHEMBL3207192 0.82 TSHR (0.50) CES1CES2TSHRTDP1LMNA

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 3056 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250311342-A1 SYSTEMS AND METHODS FOR QUANTUM COMPUTING NVISION IMAGING TECHNOLOGIES GMBH (DE) 2025-10-02 US claimed
WO-2025136243-A1 MECHANOCHEMICAL SYNTHESIS OF HISTAMINE H1-RECEPTOR ANTAGONISTS IHSAN DOGRAMACI BILKENT UNIVERSITESI (TR) 2025-06-26 WO claimed
EP-4523152-A1 SYSTEMS AND METHODS FOR QUANTUM COMPUTING NVision Imaging Technologies GmbH (DE) 2025-03-19 EP claimed
CN-119219540-A Oxiracetam and key intermediate of optical isomer thereof, and preparation method and application thereof 成都百途医药科技有限公司 2024-12-31 CN claimed
CN-119019420-A Synthesis method of cephalosporin intermediate YGH 广东立国制药有限公司 2024-11-26 CN claimed
CN-118359636-A Method for preparing oxacefditoren mother nucleus and intermediate thereof by using 7-ACA as raw material 福安药业集团重庆博圣制药有限公司 2024-07-19 CN claimed
WO-2023218402-A1 SYSTEMS AND METHODS FOR QUANTUM COMPUTING NVISION IMAGING TECHNOLOGIES GMBH (DE) 2023-11-16 WO claimed
EP-3328877-B1 PEPTOID THE UNIV OF DURHAM (GB) 2022-08-24 EP claimed
CN-110128270-B 2, 2-diphenyl cyclopropyl compound and synthetic method thereof 郑州手性药物研究院有限公司 2022-05-24 CN claimed
EP-3983424-A1 A MANUFACTURING PROCESS FOR PEPTIDE AND PROTEIN PRODUCTION Mytide Therapeutics, Inc. (US) 2022-04-20 EP claimed
EP-0720611-A1 GLUTARYL 7-ACA DERIVATIVES AND PROCESSES FOR OBTAINING THEM ANTIBIOTICOS S.P.A. (IT) 1996-07-10 EP claimed
WO-1995035020-A2 GLUTARYL 7-ACA DERIVATIVES AND PROCESSES FOR OBTAINING THEM ANTIBIOTICOS S.P.A. (IT) 1995-12-28 WO claimed
EP-0445813-B1 7-(Diphenylmethyl)oxy-9a-methoxymitosane and the preparation and use thereof BRISTOL MYERS SQUIBB CO (US) 1995-08-02 EP claimed
EP-0434341-B1 Diazine derivatives ZENECA LTD (GB) 1995-05-17 EP claimed
US-5252567-A Cardiovascular disorders, sino-atrial node effects IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US claimed
US-5175303-A Antitumor agents formed by reaction of diazodiphenylmethane and mitomycin C BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US claimed
EP-0445813-A1 7-(Diphenylmethyl)oxy-9a-methoxymitosane and the preparation and use thereof Bristol-Myers Squibb Company (US) 1991-09-11 EP claimed
EP-0434341-A1 Diazine derivatives ZENECA LIMITED (GB) 1991-06-26 EP claimed
US-4355172-A Process for 4-(D-3-amino-3-carboxypropoxy)-phenylglyoxylic acid oxime derivatives ELI LILLY AND COMPANY (US) 1982-10-19 US claimed
US-4302580-A Process for the production of a cephamycin derivative MEIJI SEIKA KAISHA, LTD. (JP) 1981-11-24 US claimed