SCHEMBL24313796

SCHEMBL24313796

O=C(NS(=O)(=O)c1ccccc1)c1cc2c(C(F)(F)F)cc(C3CC3)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.42
BCAT1 P54687 4/20 0.39
PTPN1 P18031 1/20 0.39
PTGER4 P35408 4/20 0.38
ALOX15 P16050 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR9 Q9NR96 1/20 0.37
F11 P03951 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL24314320 0.87 SCN9A (0.38) BCAT1PTGER4
SCHEMBL29587417 0.87 SCN9A (0.38) BCAT1PTGER4
SCHEMBL24313633 0.86 HPGD (0.44) BCAT1PTGER4HPGDKDM4EMEN1
SCHEMBL29588075 0.82 HIF1A (0.37) BCAT1PTGER4MEN1KMT2A
SCHEMBL24313751 0.82 PTGER4 (0.40) BCAT1PTGER4HPGDKDM4EMEN1
SCHEMBL24313906 0.81 PTGER4 (0.45) BCAT1PTGER4HPGDF11PTGS1
SCHEMBL22587694 0.80 PTGER4 (0.40) BCAT1PTPN1PTGER4HPGDKDM4E
SCHEMBL24313801 0.79 RAB9A (0.36) HPGDKDM4EMEN1KMT2ALMNA
SCHEMBL29588270 0.79 HSD17B10 (0.39) BCAT1ALDH1A1NPC1RAB9APPARG
SCHEMBL24313926 0.79 MCL1 (0.42) HPGDKDM4EMEN1KMT2ATDP1

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