SCHEMBL10575299

SCHEMBL10575299

CC(C)(CNC=O)c1ccc2nc(-c3csnn3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.40
▸ CBFB Q13951 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SCN10A Q9Y5Y9 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NPBWR1 P48145 3/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ MPL P40238 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL10575294 0.92 METAP2 (0.31) METAP2HDAC6
SCHEMBL10579207 0.83 METAP1 (0.55) METAP2CBFBHDAC6SCN10AKCNH2
SCHEMBL10575346 0.83 METAP2 (0.41) METAP2CBFBHDAC6NPBWR1METAP1
SCHEMBL10576865 0.82 HDAC6 (0.43) METAP2HDAC6KCNH2NPBWR1TRPV1
SCHEMBL10573032 0.81 METAP2 (0.40) METAP2CBFBHDAC6SCN10AKCNH2
SCHEMBL10694107 0.81 METAP2 (0.40) METAP2CBFBHDAC6SCN10AKCNH2
SCHEMBL10574710 0.81 NPC1 (0.51) HDAC6KCNH2NPBWR1TRPV1PKN2
SCHEMBL10574049 0.80 NPBWR1 (0.40) METAP2HDAC6KCNH2NPBWR1TRPV1
SCHEMBL10695359 0.80 METAP2 (0.66) METAP2CBFBMETAP1
SCHEMBL10575761 0.80 METAP2 (0.43) METAP2CBFBHDAC6KCNH2NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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