SCHEMBL10957016

SCHEMBL10957016

CCCCNc1ncc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ VCAM1 P19320 2/20 0.49
▸ HCAR3 P49019 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 5/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ MITF O75030 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PRNP P04156 1/20 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
SCHEMBL10954332 0.88 MAPT (0.48) NPC1RAB9AHCAR3MEN1KMT2A
SCHEMBL10958069 0.81 MAPT (0.56) NPC1RAB9AVCAM1HCAR3MEN1
SCHEMBL10954761 0.78 ALDH1A1 (0.55) NPC1RAB9AVCAM1HCAR3MEN1
SCHEMBL11154931 0.76 VCAM1 (0.49) NPC1RAB9AVCAM1HCAR3MEN1
SCHEMBL3406144 0.73 ALDH1A1 (0.70) VCAM1MEN1KMT2AMAPTGAA
SCHEMBL10957010 0.71 VCAM1 (0.50) NPC1VCAM1HCAR3MEN1KMT2A
SCHEMBL5568758 0.70 NPC1 (0.56) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL11006729 0.70 LMNA (0.60) NPC1RAB9AVCAM1MEN1KMT2A
SCHEMBL11004609 0.69 VCAM1 (0.51) NPC1VCAM1HCAR3MEN1KMT2A
SCHEMBL1258621 0.69 VCAM1 (1.00) VCAM1MEN1KMT2AMAPTGAA

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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