SCHEMBL902354

SCHEMBL902354

Cc1cnc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cn1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 3/20 0.64
RUNX1 Q01196 10/20 0.63
TRPV1 Q8NER1 2/20 0.57
DGAT1 O75907 1/20 0.52
P2RY6 Q15077 1/20 0.49
BACE1 P56817 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.46
PDE10A Q9Y233 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL29377925 0.78 CBFB (0.84) CBFBRUNX1TRPV1DGAT1P2RY6
SCHEMBL11903498 0.77 TRPV1 (0.77) CBFBRUNX1TRPV1NPC1RAB9A
SCHEMBL902859 0.77 ADORA3 (0.63) CBFBDGAT1P2RY6BACE1NPC1
SCHEMBL11903481 0.77 TRPV1 (0.72) CBFBRUNX1TRPV1DGAT1NPC1
SCHEMBL10146526 0.76 TRPV1 (0.59) CBFBRUNX1TRPV1SCN10APDE10A
SCHEMBL11903652 0.74 TRPV1 (0.77) CBFBRUNX1TRPV1NPC1RAB9A
SCHEMBL13286844 0.74 NPC1 (0.57) CBFBPDE10ANPC1RAB9A
SCHEMBL903006 0.73 METAP2 (0.61) CBFBDGAT1NPC1RAB9A
SCHEMBL16121415 0.73 TRPV1 (0.63) CBFBRUNX1TRPV1DGAT1BACE1
SCHEMBL11903539 0.73 TRPV1 (0.57) CBFBRUNX1TRPV1P2RY6BACE1

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
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed