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Sugi Predict / Compounds / SCHEMBL24314320

SCHEMBL24314320

SCHEMBL24314320

O=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2c(C(F)(F)F)cc(C3CC3)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.38
▸ BCAT1 P54687 1/20 0.37
▸ ALKBH2 Q6NS38 1/20 0.36
▸ ALKBH3 Q96Q83 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ AGTR1 P30556 1/20 0.35
▸ PTGER4 P35408 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
SCHEMBL29587417 1.00 SCN9A (0.38) SCN9ABCAT1ALKBH2ALKBH3FTO
SCHEMBL24313726 0.88 PTGER4 (0.36) SCN9APTGER4
SCHEMBL31723099 0.88 PTGER4 (0.36) SCN9APTGER4
SCHEMBL24313796 0.87 RBP4 (0.42) BCAT1PTGER4
SCHEMBL24314242 0.84 PTGER4 (0.37) SCN9AAGTR1PTGER4
SCHEMBL29587615 0.84 PTGER4 (0.37) SCN9AAGTR1PTGER4
SCHEMBL29588225 0.83 PTGER4 (0.38) SCN9AAGTR1PTGER4
SCHEMBL24313769 0.83 PTGER4 (0.38) SCN9AAGTR1PTGER4
SCHEMBL22588199 0.83 BCAT1 (0.38) BCAT1ALKBH2ALKBH3FTOAGTR1
SCHEMBL29588075 0.82 HIF1A (0.37) BCAT1ALKBH2ALKBH3FTOPTGER4

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed