SCHEMBL29469685

SCHEMBL29469685

CC(C)Nc1cccc(F)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
ATM Q13315 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 6/20 0.33
NPC1 O15118 3/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 2/20 0.33
F10 P00742 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 2/20 0.33

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
SCHEMBL24333653 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2RAB9AATMNPSR1
SCHEMBL24334422 0.87 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2RAB9AATMNPSR1
SCHEMBL29469646 0.87 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2RAB9AATMNPSR1
SCHEMBL24333385 0.83 RXFP1 (0.37) ALDH1A1SMN1; SMN2RAB9AATMMAPK1
SCHEMBL24333649 0.83 BCL2L1 (0.37) ALDH1A1ATMRXFP1MAPTKDM4E
SCHEMBL29469619 0.82 RORC (0.34) ALDH1A1SMN1; SMN2RAB9AATMNPSR1
SCHEMBL29469668 0.82 RXFP1 (0.36) ALDH1A1SMN1; SMN2RAB9AATMNPSR1
SCHEMBL24334260 0.82 RXFP1 (0.37) ALDH1A1RAB9AATMMAPK1HPGD
SCHEMBL29469623 0.82 RXFP1 (0.37) ALDH1A1RAB9AATMMAPK1HPGD
SCHEMBL24334220 0.81 NR1H4 (0.36) ALDH1A1SMN1; SMN2RAB9AATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP claimed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO claimed
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed