SCHEMBL31336172

SCHEMBL31336172

O=C(NS(=O)(=O)c1ccccc1F)c1cc2ccc(Br)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 3/20 0.47
▸ KAT6A Q92794 5/20 0.47
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38

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
SCHEMBL26073873 0.85 KAT6A (0.42) BCAT1KAT6ARAB9ANPC1MEN1
SCHEMBL22588433 0.84 BCAT1 (0.48) BCAT1RAB9ANPC1MEN1KMT2A
SCHEMBL31336123 0.83 KAT6A (0.43) BCAT1KAT6ARAB9ANPC1MEN1
SCHEMBL22601111 0.83 KMT2A (0.42) BCAT1KAT6ARAB9ANPC1MEN1
SCHEMBL26073864 0.79 BCAT1 (0.38) BCAT1KAT6ARAB9ANPC1MEN1
SCHEMBL31336129 0.79 TSHR (0.49) KAT6ARAB9ANPC1MEN1KMT2A
SCHEMBL26074325 0.78 HTT (0.42) KAT6ARAB9ANPC1MEN1KMT2A
SCHEMBL26074510 0.78 TSHR (0.42) KAT6AMEN1KMT2ATP53TSHR
SCHEMBL26074523 0.78 TSHR (0.42) KAT6AMEN1KMT2ATP53TSHR
SCHEMBL26074333 0.77 MEN1 (0.38) BCAT1KAT6ARAB9ANPC1MEN1

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
CN-119301096-A Inhibitors of MYST family lysine acetyltransferase 伊索斯泰里克斯公司 2025-01-10 — — CN disclosed
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