SCHEMBL10954761

SCHEMBL10954761

CCCCCNc1nc(C)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HCAR3 P49019 2/20 0.47
▸ VCAM1 P19320 2/20 0.47
▸ HPGD P15428 2/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ RIPK1 Q13546 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44

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
SCHEMBL10958069 0.97 MAPT (0.56) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL11006729 0.89 LMNA (0.60) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL10956535 0.89 CLK2 (0.48) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL10954333 0.85 CLK2 (0.52) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL10957665 0.84 MAPT (0.57) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL10955062 0.84 MAPT (0.63) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL11158198 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL11159298 0.79 MAPT (0.63) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL10957016 0.78 NPC1 (0.51) ALDH1A1MAPTMAPK1LMNANPSR1
SCHEMBL11004609 0.78 VCAM1 (0.51) ALDH1A1MAPTMAPK1LMNANPSR1

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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