SCHEMBL10183975

SCHEMBL10183975

O=C1C(N(C(=O)Cc2cccs2)c2cccc(F)c2)c2ccccc2N1c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 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
SCHEMBL10185544 0.82 OPRM1 (0.40) POLBOPRM1OPRD1OPRK1RAB9A
SCHEMBL10183904 0.81 OPRM1 (0.38) POLBOPRM1OPRD1OPRK1RAB9A
SCHEMBL10183666 0.81 OPRM1 (0.39) POLBOPRM1OPRD1OPRK1RAB9A
SCHEMBL10185926 0.81 OPRM1 (0.39) POLBOPRM1OPRD1OPRK1RAB9A
SCHEMBL10183767 0.80 OPRM1 (0.39) POLBOPRM1OPRD1OPRK1RAB9A
SCHEMBL10183900 0.80 MAPK1 (0.34) POLBRAB9AMAPK1MAPTKMT2A
SCHEMBL10183314 0.78 CCKBR (0.37) POLBOPRM1OPRD1OPRK1RAB9A
SCHEMBL10184153 0.74 OPRM1 (0.39) POLBOPRM1OPRD1OPRK1NPC1
SCHEMBL10184095 0.73 TP53 (0.41) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL10185945 0.71 OPRM1 (0.39) POLBOPRM1OPRD1OPRK1SIGMAR1

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-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
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