SCHEMBL29587761

SCHEMBL29587761

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
PIM1 P11309 4/20 0.40
PIM2 Q9P1W9 1/20 0.40
AR P10275 6/20 0.40
PGR P06401 3/20 0.40
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HSD17B3 P37058 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
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38

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 1.00 MCL1 (0.42) MCL1PIM1PIM2ARPGR
SCHEMBL31723121 0.89 MCL1 (0.42) MCL1ARPGRKDM4EHPGD
SCHEMBL24314181 0.81 MCL1 (0.41) MCL1PIM1PIM2CSNK2A1CSNK2A2
SCHEMBL24313796 0.79 RBP4 (0.42) KDM4EHPGDMEN1ALDH1A1KMT2A
SCHEMBL24313801 0.78 RAB9A (0.36) MCL1ARKDM4EHPGDHSD17B10
SCHEMBL24313929 0.75 MCL1 (0.38) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24313729 0.75 MCL1 (0.36) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24314320 0.74 SCN9A (0.38)
SCHEMBL29587417 0.74 SCN9A (0.38)
SCHEMBL24314321 0.73 MAPK1 (0.35) KDM4EHPGDMEN1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229045-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute Inc. (US) 2023-08-23 EP disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed