SCHEMBL18152633

SCHEMBL18152633

CS(=O)(=O)Nc1c(CC2CC2)c(Br)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.34
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ CACNA1H O95180 2/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL18152662 0.81 SCN9A (0.33) GRIN1GRIN2BALDH1A1SMN1; SMN2HPGD
SCHEMBL18152793 0.78 MEN1 (0.32) TRPV1
SCHEMBL18152659 0.68 ADRB2 (0.33) —
SCHEMBL18152783 0.67 RIPK1 (0.33) KDM4EHPGD
SCHEMBL11684204 0.60 KDM4E (0.42) TRPV1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL18152668 0.59 HTT (0.31) —
SCHEMBL18152624 0.59 HTT (0.33) —
SCHEMBL7002106 0.59 RIPK1 (0.55) CACNA1HCACNA1GALDH1A1KDM4EHPGD
SCHEMBL9204907 0.57 CACNA1H (0.37) CACNA1HCACNA1GTRPV1ALDH1A1LMNA
SCHEMBL28390672 0.57 MAPT (0.59) CACNA1HALDH1A1LMNASMN1; SMN2KDM4E

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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