SCHEMBL45942

SCHEMBL45942

N#Cc1ccc(C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.69
CYP2A6 P11509 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CA12 O43570 1/20 0.69
CA3 P07451 1/20 0.69
CA6 P23280 1/20 0.69
CA9 Q16790 1/20 0.69
CA14 Q9ULX7 1/20 0.69
TSHR P16473 1/20 0.67
LOXL2 Q9Y4K0 2/20 0.58
MMP3 P08254 1/20 0.58
ENPP2 Q13822 1/20 0.58
HDAC8 Q9BY41 1/20 0.53
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
CA1 P00915 2/20 0.52
KIF11 P52732 2/20 0.50
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48

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
SCHEMBL2503454 1.00 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28189314 1.00 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28254092 1.00 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Fluoride SCHEMBL28136789 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
Fluoride SCHEMBL28187921 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
Ammonia Solution, Strong SCHEMBL27405382 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27567478 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL28829194 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27949151 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL28212763 0.96 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3

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 6866 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121735989-B Method for catalyzing hydroboration reaction of nitrile compound WEIFANG UNIVERSITY (CN) 2026-05-26 CN claimed
EP-4743438-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2026-05-20 EP claimed
CN-122036472-A Photocatalysis preparation method of milbelin intermediate 山东新时代药业有限公司 2026-05-15 CN claimed
US-20260081227-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE CONTAINING SAME NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2026-03-19 US claimed
US-20260081226-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE CONTAINING SAME NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2026-03-19 US claimed
EP-4708400-A1 LITHIUM-ION SECONDARY BATTERY Zhuhai CosMX Battery Co., Ltd. (CN) 2026-03-11 EP claimed
US-20260066276-A1 LITHIUM-ION SECONDARY BATTERY ZHUHAI COSMX BATTERY CO., LTD. (CN) 2026-03-05 US claimed
US-12537184-B2 Electrochemical device and electronic device NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2026-01-27 US claimed
EP-4679519-A2 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE CONTAINING SAME Ningde Amperex Technology Limited (CN) 2026-01-14 EP claimed
EP-4679520-A2 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE CONTAINING SAME Ningde Amperex Technology Limited (CN) 2026-01-14 EP claimed
US-4034005-A REACTIVE DISTILLATION OF AROMATIC NITRILE EQUILIBRIUM HYDROLYSIS MIXTURE SUN VENTURES, INC. (US) 1977-07-05 US claimed
US-4033673-A Erasable visual image display device INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1977-07-05 US claimed
US-3998881-A HYDROGENATION OF PHTHALONITRILES USING RHODIUM CATALYST SUN VENTURES, INC. (US) 1976-12-21 US claimed
US-3985805-A Preparation of alkylcarboxamides SUN VENTURES, INC. (US) 1976-10-12 US claimed
US-3968152-A HYDROLYSIS OF NITRILE, MULTISTAGE THE LUMMUS COMPANY (US) 1976-07-06 US claimed
US-3965160-A OXIDATION SUN VENTURES, INC. (US) 1976-06-22 US claimed
US-3959337-A ALKALI METAL VANADIUM BRONZE CATALYST SUN VENTURES, INC. (US) 1976-05-25 US claimed
US-3959336-A NIOBIUM OXIDE PROMOTED ALKALI METAL VANADIUM BRONZE CATALYST ON ALPHA-ALUMINA SUN VENTURES, INC. (US) 1976-05-25 US claimed
US-3944598-A Production of amine salts of carboxylic acids THE LUMMUS COMPANY (US) 1976-03-16 US claimed
US-3935238-A CATALYTIC ESTERIFICATION OF AMMONIUM CARBOXYLATE AND ALKANOL SUN RESEARCH AND DEVELOPMENT CO. (US) 1976-01-27 US claimed