SCHEMBL24334396

SCHEMBL24334396

COc1cccc2c(S(=O)(=O)NC(=O)c3cc4c(F)cc(N5CCC5)cc4o3)cccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 9/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EDNRA P25101 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL29469709 1.00 FABP4 (0.38) FABP4ALDH1A1HPGDMAPTGAA
SCHEMBL31525463 0.92 KAT6A (0.41) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL24334004 0.87 ALDH1A1 (0.34) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL29469686 0.86 NLRP3 (0.44)
SCHEMBL24334273 0.86 NLRP3 (0.44)
SCHEMBL24333990 0.85 MCOLN3 (0.41) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL29469607 0.85 KMT2A (0.41) FABP4ALDH1A1HPGDMAPTGAA
SCHEMBL24333973 0.85 KMT2A (0.41) FABP4ALDH1A1HPGDMAPTGAA
SCHEMBL24333765 0.85 USP2 (0.36) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL24334461 0.84 GHSR (0.41) ALDH1A1HPGDMAPTGAALMNA

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
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed