SCHEMBL24313699

SCHEMBL24313699

CC(C)(C)c1ccc(OC2CC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
KAT6A Q92794 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR6 P46095 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 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
SCHEMBL29587622 1.00 SCN9A (0.35) SCN9AALDH1A1LMNATRPV1KAT6A
SCHEMBL24313960 0.97 TRPV1 (0.35) SCN9AALDH1A1LMNATRPV1FABP4
SCHEMBL29587885 0.97 TRPV1 (0.35) SCN9AALDH1A1LMNATRPV1FABP4
SCHEMBL29587808 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL24314184 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL24313805 0.89 ALDH1A1 (0.34) SCN9AALDH1A1LMNA
SCHEMBL29588213 0.89 ALDH1A1 (0.34) SCN9AALDH1A1LMNA
SCHEMBL24314323 0.88 SCN9A (0.38) SCN9A
SCHEMBL29587334 0.88 KCNH2 (0.39) SCN9AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL29588250 0.88 SCN9A (0.38) SCN9A

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed