SCHEMBL10956552

SCHEMBL10956552

C=CCNc1nc(C)c(C(=O)c2ccc(N)c(N)c2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 10/20 0.64
▸ CDK2 P24941 10/20 0.64
▸ CCNE1 P24864 1/20 0.57
▸ RAB9A P51151 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ NPC1 O15118 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.43

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
Hydrochloric Acid SCHEMBL11151222 0.99 CCNA2 (0.62) CCNA2CDK2CCNE1RAB9AHPGD
SCHEMBL10957323 0.87 CDK2 (0.63) CCNA2CDK2CCNE1RAB9AHPGD
SCHEMBL11010419 0.86 CCNA2 (0.55) CCNA2CDK2RAB9AHPGDLIMK1
SCHEMBL10954897 0.83 ADORA2A (0.47) CCNA2CDK2RAB9ALIMK1NPC1
SCHEMBL10957090 0.82 CLK2 (0.58) CCNA2CDK2RAB9ALIMK1NPC1
SCHEMBL10958241 0.82 ALDH1A1 (0.65) CCNA2CDK2RAB9ANPC1MAPT
SCHEMBL11158198 0.78 ALDH1A1 (0.56) CCNA2CDK2CCNE1RAB9AHPGD
SCHEMBL11034427 0.73 CCNA2 (0.54) CCNA2CDK2CCNE1RAB9AHPGD
SCHEMBL11008126 0.73 CCNA2 (0.48) CCNA2CDK2RAB9ANPC1MAPT
SCHEMBL10955560 0.72 MAPT (0.44) RAB9AHPGDNPC1MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008047-B1 5(6)-(2-AMINO-5-THIAZOLOYL)BENZIMIDAZOLE-2-CARBAMIC ACID ESTERS AND THEIR SALTS, THEIR PREPARATION AND USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1985-12-04 — — EP disclosed
US-4386097-A Benzimidazoles, processes for their preparation and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1983-05-31 — — US disclosed
US-4297365-A Benzimidazoles and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1981-10-27 — — US disclosed
EP-0008047-A1 5(6)-(2-Amino-5-thiazoloyl)benzimidazole-2-carbamic acid esters and their salts, their preparation and use, and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-02-20 — — EP disclosed
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