SCHEMBL122260

SCHEMBL122260

CN1CCN=C1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
GAA P10253 1/20 0.46
NR1I2 O75469 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
PTAFR P25105 2/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL14085132 0.89 TOP2A (0.44) PTGS2CA1CA2CA4CA7
SCHEMBL8266616 0.88 MAOA (0.41) ADORA3GAANR1I2HTR2CADRA1A
SCHEMBL8286902 0.82 PTAFR (0.46) ALDH1A1RECQLPTAFRCA1CA2
SCHEMBL3570180 0.80 KEAP1 (0.40) GAAPTGS2ALDH1A1CA1CA2
SCHEMBL5502730 0.80 TOP2A (0.36) PTGS2
SCHEMBL12562435 0.79 GAA (0.47) GAAALDH1A1RECQLPTAFRLMNA
Water SCHEMBL9451273 0.79 PTAFR (0.43) PTAFR
Hydrochloric Acid SCHEMBL6766285 0.79 TOP2A (0.41) PTGS2CA1CA2CA4CA7
Water SCHEMBL9451270 0.79 PTAFR (0.43) PTAFR
SCHEMBL5741640 0.78 CHRNB4 (0.45) ADORA3NR1I2HTR2CADRA1APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103804384-B The preparation method of benzodiazepine compounds LI HONG (CN) 2016-01-20 CN claimed
US-5870275-A CONTAINING A QUATERNARY AMIDINE GROUP SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US claimed
EP-0123797-B1 METHOD OF MAKING MATT COATINGS HÜLS AKTIENGESELLSCHAFT (DE) 1986-10-01 EP claimed
EP-3404056-B1 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMER COMPOSITION ZEON CORP (JP) 2025-06-11 EP disclosed
EP-3101065-B1 CROSS-LINKABLE NITRILE RUBBER COMPOSITION AND CROSS-LINKED RUBBER ZEON CORP (JP) 2025-05-28 EP disclosed
US-12202923-B2 Nitrile-group-containing copolymer rubber ZEON CORPORATION (JP) 2025-01-21 US disclosed
CN-114555660-B Nitrile group-containing copolymer rubber 日本瑞翁株式会社 2024-06-11 CN disclosed
EP-3305817-B2 NITRILE GROUP CONTAINING, HIGHLY SATURATED COPOLYMER RUBBER ZEON CORP (JP) 2023-12-27 EP disclosed
EP-3744739-B1 METHOD FOR PRODUCING CARBOXY GROUP-CONTAINING HYDROGENATED NITRILE RUBBER ZEON CORP (JP) 2023-12-27 EP disclosed
US-11639408-B2 Nitrile group-containing copolymer rubber ZEON CORPORATION (JP) 2023-05-02 US disclosed
EP-3176190-B1 NITRILE-GROUP-CONTAINING COPOLYMER RUBBER, CROSSLINKABLE RUBBER COMPOSITION, AND CROSSLINKED RUBBER ZEON CORP (JP) 2023-03-29 EP disclosed
US-5870275-A CONTAINING A QUATERNARY AMIDINE GROUP SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US disclosed
EP-0684620-A1 ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL ELEMENT PREPARED THEREFROM SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-29 EP disclosed
EP-0643086-A1 Aromatic polyisocyanurate resins and process therefor AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-03-15 EP disclosed
US-5322914-A Blocked trimerization catalyst and a polyester- or etherurethane copolymer; vulcanization by heating; adhesives; elastomers; shelf life AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-06-21 US disclosed
EP-0165437-B1 PROCESS FOR THE PREPARATION OF SOLID POLYISOCYANATES HAVING A DELAYED REACTIVITY, DISPERSED POLYISOCYANATES ENVELOPED BY POLYMERS, AND THEIR USE BAYER AG (DE) 1988-09-21 EP disclosed
US-4619985-A Process for the production of deactivated suspensions of finely-divided polyisocyanates in relatively high molecular weight compounds, deactivated suspensions and use thereof for the production of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
EP-0123797-B1 METHOD OF MAKING MATT COATINGS HÜLS AKTIENGESELLSCHAFT (DE) 1986-10-01 EP disclosed
US-4496710-A TRIMELLITIC ACID MONOSALT OF 2-PHENYL-METHYL-2-IMIDAZOLINE AS CURING AGENT FOR EPOXY RESIN CHEMISCHE WERKE HULS AG (DE) 1985-01-29 US disclosed
EP-0123797-A1 Method of making matt coatings HÜLS AKTIENGESELLSCHAFT (DE) 1984-11-07 EP disclosed