SCHEMBL29587778

SCHEMBL29587778

Cc1ccc2cccc(S(=O)(=O)NC(=O)c3cc4c(N(C)C)cc(C5CC5)cc4o3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
POLB P06746 4/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
NFKBIA P25963 1/20 0.34
RELA Q04206 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
ALDH1A1 P00352 2/20 0.33
THRB P10828 2/20 0.33
HTR7 P34969 1/20 0.33
SLC16A3 O15427 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
NR1I2 O75469 1/20 0.32
HPGD P15428 1/20 0.32
AHR P35869 1/20 0.32
HTT P42858 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
SCHEMBL24314312 1.00 HSD17B10 (0.39) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL29587382 0.88 HSD17B10 (0.40) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL24314295 0.88 HSD17B10 (0.40) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL29588270 0.86 HSD17B10 (0.39) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL24313957 0.84 HSD17B10 (0.37) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL29587405 0.84 HSD17B10 (0.37) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL24314314 0.81 ALDH1A1 (0.33) HSD17B10SMN1; SMN2POLBTP53TSHR
SCHEMBL29587615 0.80 PTGER4 (0.37) POLBALDH1A1KDM4EHPGD
SCHEMBL24314242 0.80 PTGER4 (0.37) POLBALDH1A1KDM4EHPGD
SCHEMBL22588218 0.79 POLB (0.39) HSD17B10SMN1; SMN2POLBTP53TSHR

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