SCHEMBL29469646

SCHEMBL29469646

O=C(NS(=O)(=O)c1c(F)cccc1NC1CC1)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 2/20 0.34
MCHR1 Q99705 5/20 0.33
KCNH2 Q12809 5/20 0.33
NPC1 O15118 3/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
CHEK1 O14757 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
SCHEMBL24334422 1.00 ALDH1A1 (0.34) ALDH1A1RAB9ASMN1; SMN2ATMNPSR1
SCHEMBL24333653 0.87 ALDH1A1 (0.34) ALDH1A1RAB9ASMN1; SMN2ATMNPSR1
SCHEMBL29469685 0.87 ALDH1A1 (0.34) ALDH1A1RAB9ASMN1; SMN2ATMNPSR1
SCHEMBL29469619 0.85 RORC (0.34) ALDH1A1RAB9ASMN1; SMN2ATMNPSR1
SCHEMBL29469915 0.85 SCN9A (0.34) RORCMCHR1KCNH2
SCHEMBL24333336 0.85 SCN9A (0.34) RORCMCHR1KCNH2
SCHEMBL24334419 0.80 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2ATMNPSR1
SCHEMBL29469668 0.80 RXFP1 (0.36) ALDH1A1RAB9ASMN1; SMN2ATMNPSR1
SCHEMBL24333413 0.80 RXFP1 (0.34) ALDH1A1RAB9AATMNPSR1TSHR
SCHEMBL29469659 0.80 RXFP1 (0.34) ALDH1A1RAB9AATMNPSR1TSHR

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