SCHEMBL24313775

SCHEMBL24313775

COc1ccc(C2CC2)cc1[S+]([O-])NC(=O)c1cc2c(F)cc(C3CC3)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.38
KCNH2 Q12809 4/20 0.38
ACHE P22303 4/20 0.34
ABCB1 P08183 1/20 0.34
CCR5 P51681 2/20 0.33
KMT2A Q03164 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KDM1A O60341 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL24314187 0.91 MCHR1 (0.36) MCHR1KCNH2ACHEKMT2ACACNA1B
SCHEMBL24313811 0.90 MCHR1 (0.38) MCHR1KCNH2ACHEABCB1CCR5
SCHEMBL24333743 0.88 MCHR1 (0.38) MCHR1KCNH2ACHEABCB1CCR5
SCHEMBL24314235 0.84 KCNH2 (0.36) MCHR1KCNH2KMT2A
SCHEMBL24313761 0.83 MEN1 (0.32) MCHR1KCNH2KMT2A
SCHEMBL24313698 0.83 SCN9A (0.33)
SCHEMBL24313754 0.81 MEN1 (0.36) KCNH2CCR5KMT2A
SCHEMBL24313750 0.81 KAT2B (0.33) MCHR1KCNH2
SCHEMBL24314319 0.80 CNR2 (0.33) MCHR1KCNH2
SCHEMBL24313634 0.79 RAB9A (0.34) MCHR1KCNH2ACHEKMT2AALOX5

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