SCHEMBL11158198

SCHEMBL11158198

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CCNA2 P20248 8/20 0.55
▸ CDK2 P24941 8/20 0.55
▸ VCAM1 P19320 2/20 0.48
▸ F2 P00734 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ CCNE1 P24864 1/20 0.45
▸ HCAR3 P49019 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL10957323 0.88 CDK2 (0.63) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL11006729 0.88 LMNA (0.60) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL10957665 0.85 MAPT (0.57) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL10955062 0.84 MAPT (0.63) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL10958069 0.84 MAPT (0.56) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL10954761 0.83 ALDH1A1 (0.55) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL11159298 0.80 MAPT (0.63) ALDH1A1MAPTLMNAMAPK1TDP1
SCHEMBL10956552 0.78 CCNA2 (0.64) ALDH1A1MAPTLMNANPSR1CCNA2
Hydrochloric Acid SCHEMBL11151222 0.77 CCNA2 (0.62) ALDH1A1MAPTLMNANPSR1CCNA2
SCHEMBL11004609 0.77 VCAM1 (0.51) ALDH1A1MAPTLMNAMAPK1TDP1

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
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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