SCHEMBL10185925

SCHEMBL10185925

Cc1ccc(N(C(=O)Cc2cccs2)C2C(=O)N(C3CCCCC3)c3ccccc32)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ OPRK1 P41145 4/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ POLB P06746 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADAM17 P78536 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL10183972 0.90 OPRM1 (0.36) MEN1KMT2ASIGMAR1OPRK1OPRM1
SCHEMBL10185945 0.88 OPRM1 (0.39) SIGMAR1OPRK1OPRM1OPRL1OPRD1
SCHEMBL10183731 0.85 USP2 (0.39) MEN1KMT2ARAB9ASIGMAR1OPRK1
SCHEMBL10185950 0.85 SMN1; SMN2 (0.39) MEN1KMT2ARAB9ASIGMAR1OPRK1
SCHEMBL10184154 0.85 POLB (0.39) MEN1KMT2ASIGMAR1OPRK1OPRM1
SCHEMBL10185926 0.84 OPRM1 (0.39) RAB9ASIGMAR1OPRK1OPRM1OPRL1
SCHEMBL10183666 0.84 OPRM1 (0.39) RAB9ASIGMAR1OPRK1OPRM1OPRL1
SCHEMBL10184153 0.84 OPRM1 (0.39) SIGMAR1OPRK1OPRM1OPRL1OPRD1
SCHEMBL10185544 0.82 OPRM1 (0.40) RAB9ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL10183727 0.81 ALDH1A1 (0.41) MEN1KMT2AOPRK1OPRM1OPRL1

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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