SCHEMBL17263156

SCHEMBL17263156

Cc1cccnc1C(O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
ACSS2 Q9NR19 4/20 0.38
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SSTR4 P31391 1/20 0.33
F2RL1 P55085 1/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL6090949 0.82 CYP19A1 (0.64) CYP19A1CFTRGOPCKMT2ACYP3A4
SCHEMBL11532100 0.77 CYP19A1 (0.62) CYP19A1CFTRGOPCKMT2ACYP3A4
SCHEMBL11535538 0.74 CYP19A1 (0.51) CYP19A1CFTRGOPCKMT2ACYP3A4
SCHEMBL11534840 0.74 CYP19A1 (0.88) CYP19A1CYP3A4
SCHEMBL11535325 0.74 CYP19A1 (0.62) CYP19A1CFTRGOPCKMT2ATAAR1
SCHEMBL11533232 0.74 CYP19A1 (0.62) CYP19A1CFTRGOPCKMT2ACYP3A4
SCHEMBL11537316 0.74 CYP19A1 (0.62) CYP19A1CFTRGOPCKMT2AF2RL1
SCHEMBL11631351 0.73 NISCH (0.39) CFTRGOPCACSS2KMT2ACYP3A4
SCHEMBL6302051 0.72 CYP19A1 (0.47) CYP19A1CFTRGOPCKMT2ACYP3A4
SCHEMBL697087 0.72 CYP19A1 (0.47) CYP19A1CFTRGOPCKMT2ACYP3A4

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-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 WO disclosed