SCHEMBL28596249

SCHEMBL28596249

O=Cc1cccc(-n2cc(C(F)(F)F)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NOTUM Q6P988 4/20 0.41
FGFR1 P11362 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM4 Q14833 1/20 0.38
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
MGLL Q99685 1/20 0.36
MTOR P42345 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
XDH P47989 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL31174791 1.00 EPHX2 (0.54) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL11477159 0.84 EPHX2 (0.63) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL29935788 0.83 KAT6A (0.44) EPHX2NPC1RAB9AFGFR1ALDH1A1
SCHEMBL11901262 0.81 ALDH1A1 (0.49) EPHX2ALDH1A1POLBL3MBTL1NTRK1
SCHEMBL24856259 0.79 NTRK1 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL21863392 0.77 EPHX2 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL21849159 0.76 EPHX2 (0.64) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3606688 0.76 GAA (0.55) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL22900555 0.75 EPHX2 (0.43) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL21816235 0.75 MEN1 (0.75) EPHX2NPC1RAB9AMEN1KMT2A

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
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed