SCHEMBL31111034

SCHEMBL31111034

CS(=N)(=O)c1c(Oc2ccc(F)c(C#N)c2)c(F)c(F)c2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 4/20 0.39
▸ BRD4 O60885 11/20 0.38
▸ VEGFA P15692 1/20 0.36
▸ SLC22A12 Q96S37 2/20 0.36
▸ PGR P06401 2/20 0.35
▸ AR P10275 1/20 0.34

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
SCHEMBL31110928 0.90 EPAS1 (0.39) EPAS1BRD4VEGFASLC22A12PGR
SCHEMBL29336696 0.84 EPAS1 (0.38) EPAS1BRD4VEGFASLC22A12PGR
SCHEMBL29237594 0.84 DRD1 (0.36) EPAS1BRD4AR
SCHEMBL30967818 0.84 DRD1 (0.36) EPAS1BRD4AR
SCHEMBL29237576 0.82 TRPA1 (0.34) EPAS1BRD4VEGFASLC22A12AR
SCHEMBL30967762 0.82 TRPA1 (0.34) EPAS1BRD4VEGFASLC22A12AR
SCHEMBL31111009 0.81 EPAS1 (0.34) EPAS1BRD4VEGFASLC22A12
SCHEMBL31111011 0.81 BRD4 (0.35) BRD4
SCHEMBL27270099 0.79 TRPA1 (0.33) EPAS1BRD4VEGFASLC22A12AR
SCHEMBL31108584 0.79 EPAS1 (0.33) EPAS1BRD4VEGFAAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 — — EP disclosed
WO-2024182751-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
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