SCHEMBL31723121

SCHEMBL31723121

NC(=O)c1cc2c(C(F)(F)F)cc(C3CC3)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
AR P10275 12/20 0.38
PGR P06401 7/20 0.38
HSD17B3 P37058 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
MAP2K1 Q02750 1/20 0.35
AGER Q15109 1/20 0.34
POLQ O75417 1/20 0.34

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
SCHEMBL24313926 0.89 MCL1 (0.42) MCL1ARPGRHSD17B3KDM4E
SCHEMBL29587761 0.89 MCL1 (0.42) MCL1ARPGRHSD17B3KDM4E
SCHEMBL31723087 0.81 PPP5C (0.33)
SCHEMBL31723088 0.81 PPP5C (0.33)
SCHEMBL24313796 0.76 RBP4 (0.42) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL24313801 0.75 RAB9A (0.36) MCL1ARHSD17B3KDM4EMEN1
SCHEMBL31723070 0.75 CYP2C9 (0.31)
SCHEMBL31723096 0.75 PDE4D (0.34)
SCHEMBL30538372 0.73 MCL1 (0.40) MCL1ARPGRHSD17B3KDM4E
SCHEMBL24314320 0.72 SCN9A (0.38)

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
EP-4229045-B1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER BROAD INST INC (US) 2025-11-12 EP claimed