SCHEMBL11436301

SCHEMBL11436301

Cc1nc(N(C)C)sc1C(=O)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CHRM4 P08173 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ XIAP P98170 1/20 0.38

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
SCHEMBL10955560 0.85 MAPT (0.44) ADORA2AALDH1A1NPC1RAB9AMAPT
SCHEMBL10955595 0.78 MAPT (0.48) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL23929760 0.72 RAB9A (0.53) ADORA2AALDH1A1NPC1RAB9AMAPT
SCHEMBL10952598 0.72 MAPT (0.63) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL6761935 0.72 ALDH1A1 (0.55) ADORA2AALDH1A1NPC1RAB9APOLB
Bromide SCHEMBL6123463 0.71 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL6113899 0.71 RXFP1 (0.44) ALDH1A1NPC1RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL8552956 0.71 ALDH1A1 (0.53) ADORA2AALDH1A1NPC1RAB9APOLB
SCHEMBL3067153 0.71 ALDH1A1 (0.40) ADORA2AALDH1A1NPC1RAB9AMAPT
SCHEMBL10955467 0.70 CLK2 (0.65) ALDH1A1NPC1RAB9AMAPTPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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