SCHEMBL10694107

SCHEMBL10694107

CC(C)(CNC=O)c1ccc2nc(-c3ccc(O)nn3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MPL P40238 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CBFB Q13951 1/20 0.35
▸ SCN10A Q9Y5Y9 3/20 0.34
▸ NPBWR1 P48145 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ PLK4 O00444 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

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
SCHEMBL10694085 0.92 METAP2 (0.31) METAP2HDAC6MPL
SCHEMBL10576865 0.86 HDAC6 (0.43) METAP2HDAC6DGAT1KCNH2NPBWR1
SCHEMBL10574922 0.82 HDAC6 (0.43) HDAC6DGAT1KCNH2NPBWR1TP53
SCHEMBL10574859 0.82 METAP2 (0.42) METAP2HDAC6DGAT1KCNH2CBFB
SCHEMBL10575761 0.82 METAP2 (0.43) METAP2HDAC6MPLDGAT1KCNH2
SCHEMBL10577338 0.82 DGAT1 (0.57) HDAC6DGAT1KCNH2NPBWR1TP53
SCHEMBL10575299 0.81 METAP2 (0.40) METAP2HDAC6MPLKCNH2CBFB
SCHEMBL10694817 0.81 SCN10A (0.40) METAP2HDAC6DGAT1KCNH2SCN10A
SCHEMBL10575346 0.81 METAP2 (0.41) METAP2HDAC6MPLCBFBNPBWR1
SCHEMBL10695359 0.80 METAP2 (0.66) METAP2CBFBTP53MAPTSMN1; SMN2

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-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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