SCHEMBL10954333

SCHEMBL10954333

CCCCNc1nc(C)c(C(=O)c2ccc(N)c([N+](=O)[O-])c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ LIMK1 P53667 1/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52
▸ RIPK1 Q13546 2/20 0.49
▸ HCAR3 P49019 2/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ CCNA2 P20248 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL10956535 0.97 CLK2 (0.48) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL11008126 0.90 CCNA2 (0.48) CDK5HCAR3NPC1SMN1; SMN2MAPT
SCHEMBL10958069 0.88 MAPT (0.56) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10957090 0.87 CLK2 (0.58) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10954761 0.85 ALDH1A1 (0.55) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10956678 0.85 CCNA2 (0.44) NPC1SMN1; SMN2MAPTCCNA2CDK2
SCHEMBL10960186 0.84 ALDH1A1 (0.56) CDK5NPC1SMN1; SMN2MAPTCCNA2
SCHEMBL10957323 0.84 CDK2 (0.63) LIMK1HCAR3NPC1SMN1; SMN2MAPT
SCHEMBL10954332 0.81 MAPT (0.48) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10955467 0.81 CLK2 (0.65) CLK2GSK3AGSK3BCDK9LIMK1

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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