SCHEMBL11008126

SCHEMBL11008126

CCNc1nc(C)c(C(=O)c2ccc(N)c([N+](=O)[O-])c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ MAPK14 Q16539 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HCAR3 P49019 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ CDK5 Q00535 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
SCHEMBL10954333 0.90 CLK2 (0.52) CCNA2CDK2MAPK14MAPTMEN1
SCHEMBL10956535 0.89 CLK2 (0.48) CCNA2CDK2MAPK14MAPTMEN1
SCHEMBL10956678 0.89 CCNA2 (0.44) CCNA2CDK2MAPTMEN1KMT2A
SCHEMBL11006867 0.88 CCNA2 (0.47) CCNA2CDK2MAPTMEN1KMT2A
SCHEMBL10960186 0.88 ALDH1A1 (0.56) CCNA2CDK2MAPTMEN1KMT2A
SCHEMBL10957323 0.88 CDK2 (0.63) CCNA2CDK2MAPTMEN1KMT2A
SCHEMBL11006729 0.87 LMNA (0.60) CCNA2CDK2MAPK14MAPTMEN1
SCHEMBL11010419 0.85 CCNA2 (0.55) CCNA2CDK2MAPK14MAPTMEN1
SCHEMBL10953264 0.83 MAPT (0.63) CCNA2CDK2MAPK14MAPTMEN1
SCHEMBL10955595 0.79 MAPT (0.48) MAPTMEN1KMT2ALMNAALDH1A1

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 3 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
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