SCHEMBL31110713

SCHEMBL31110713

CC1C=C(C(=O)O)c2cccc(Br)c2O1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL7769084 0.66 LMNA (0.53) KMT2A
SCHEMBL31110769 0.64 PBRM1 (0.50) —
SCHEMBL9296680 0.61 KMT2A (0.40) KMT2A
SCHEMBL21874490 0.61 TP53 (0.32) —
SCHEMBL31110943 0.61 PARP1 (0.36) —
SCHEMBL27587946 0.59 NOS2 (0.36) —
SCHEMBL6703206 0.58 MAOB (0.59) —
Bicarbonate SCHEMBL11403105 0.58 ALDH1A1 (0.42) KMT2A
SCHEMBL11816433 0.58 ALDH1A1 (0.48) KMT2A
SCHEMBL2731181 0.58 AKT1 (0.43) KMT2A

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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