SCHEMBL10958069

SCHEMBL10958069

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ VCAM1 P19320 2/20 0.48
▸ RIPK1 Q13546 2/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ LIMK1 P53667 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ HCAR3 P49019 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ RAF1 P04049 1/20 0.46

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
SCHEMBL10954761 0.97 ALDH1A1 (0.55) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL11006729 0.90 LMNA (0.60) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL10954333 0.88 CLK2 (0.52) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL10956535 0.85 CLK2 (0.48) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL10957665 0.85 MAPT (0.57) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL10955062 0.84 MAPT (0.63) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL11158198 0.84 ALDH1A1 (0.56) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL10957016 0.81 NPC1 (0.51) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL11159298 0.80 MAPT (0.63) MAPTALDH1A1MAPK1LMNANPSR1
SCHEMBL11004609 0.79 VCAM1 (0.51) MAPTALDH1A1MAPK1LMNANPSR1

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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