SCHEMBL24313769

SCHEMBL24313769

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.38
CASP1 P29466 2/20 0.33
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33
AGTR1 P30556 3/20 0.33
AGTR2 P50052 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL29588225 1.00 PTGER4 (0.38) PTGER4CASP1MMP2MMP14AGTR1
SCHEMBL24313906 0.87 PTGER4 (0.45) PTGER4MMP2MMP14HPGDPDE4A
SCHEMBL31723099 0.86 PTGER4 (0.36) PTGER4CASP1KDM4EMEN1ALDH1A1
SCHEMBL24313726 0.86 PTGER4 (0.36) PTGER4CASP1KDM4EMEN1ALDH1A1
SCHEMBL24314201 0.85 PTGER4 (0.39) PTGER4MMP2KDM4EMEN1ALDH1A1
SCHEMBL29587417 0.83 SCN9A (0.38) PTGER4AGTR1SCN9A
SCHEMBL24314320 0.83 SCN9A (0.38) PTGER4AGTR1SCN9A
SCHEMBL29587615 0.81 PTGER4 (0.37) PTGER4CASP1AGTR1AGTR2KDM4E
SCHEMBL24314242 0.81 PTGER4 (0.37) PTGER4CASP1AGTR1AGTR2KDM4E
SCHEMBL24313957 0.80 HSD17B10 (0.37) PTGER4ALDH1A1POLBGAAPDE4D

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