SCHEMBL31458865

SCHEMBL31458865

CNC(=S)NNC(=O)C1(c2cc(F)nc(Br)c2)CC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 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
SCHEMBL31459168 0.82 ALDH1A1 (0.36) ALDH1A1GAAMEN1LMNAKMT2A
SCHEMBL30999140 0.82 ALDH1A1 (0.33) ALDH1A1GAAMEN1LMNAKMT2A
SCHEMBL31458967 0.81 MAOB (0.33) —
SCHEMBL25415100 0.80 ALDH1A1 (0.35) ALDH1A1GAAMEN1LMNAKMT2A
SCHEMBL31458908 0.78 CCR2 (0.31) —
SCHEMBL31459073 0.77 ADAM17 (0.30) —
SCHEMBL31251405 0.77 ALDH1A1 (0.33) ALDH1A1GAAMEN1LMNAKMT2A
SCHEMBL31737974 0.77 ALDH1A1 (0.36) ALDH1A1GAAMEN1LMNAKMT2A
SCHEMBL26483710 0.77 P2RX4 (0.43) ALDH1A1GAAMEN1LMNAKMT2A
SCHEMBL25311599 0.77 KMT2A (0.40) ALDH1A1GAAMEN1LMNAKMT2A

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-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 — — WO disclosed
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