SCHEMBL10954897

SCHEMBL10954897

Cc1nc(NCC(C)C)sc1C(=O)c1ccc(N)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CCNA2 P20248 7/20 0.42
▸ CDK2 P24941 7/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL11010419 0.87 CCNA2 (0.55) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL10956678 0.86 CCNA2 (0.44) ADORA2AADORA1ALDH1A1NPC1RAB9A
SCHEMBL10957090 0.83 CLK2 (0.58) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL10956552 0.83 CCNA2 (0.64) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL10958241 0.83 ALDH1A1 (0.65) ADORA2AADORA1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL11151222 0.82 CCNA2 (0.62) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL10957665 0.78 MAPT (0.57) ADORA2AADORA1ALDH1A1NPC1RAB9A
SCHEMBL11034427 0.74 CCNA2 (0.54) ALDH1A1NPC1RAB9AMAPTCCNA2
SCHEMBL11008126 0.73 CCNA2 (0.48) ALDH1A1NPC1RAB9AMAPTCCNA2
SCHEMBL10955560 0.73 MAPT (0.44) ADORA2AALDH1A1NPC1RAB9AMAPT

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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