SCHEMBL18152662

SCHEMBL18152662

CCOc1nc2c(NS(C)(=O)=O)c(CC3CC3)c(Br)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.33
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18152633 0.81 USP30 (0.34) SCN9AGRIN1GRIN2BALDH1A1HPGD
SCHEMBL18152627 0.79 CCNB2 (0.31) —
SCHEMBL18152783 0.71 RIPK1 (0.33) MAPTHPGDHSD17B10
SCHEMBL18152659 0.70 ADRB2 (0.33) —
SCHEMBL18152677 0.66 CCNB2 (0.32) —
SCHEMBL18152712 0.63 GRIN2D (0.38) GRIN1GRIN2BMAPT
SCHEMBL18152668 0.62 HTT (0.31) —
SCHEMBL18152624 0.62 HTT (0.33) —
SCHEMBL6500700 0.60 EGLN1 (0.40) HPGDSMN1; SMN2
SCHEMBL17813560 0.56 BRD4 (0.49) —

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
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 — — EP disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 — — WO disclosed
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