SCHEMBL31459286

SCHEMBL31459286

CNC(=S)NNC(=O)C1(c2cc(Br)c3nccnc3c2)CC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32

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 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL31459040 0.80 — —
SCHEMBL25415100 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL31458865 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31737974 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL30999140 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL30872133 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL31251405 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25311599 0.74 KMT2A (0.40) ALDH1A1
SCHEMBL30153227 0.74 KMT2A (0.40) ALDH1A1

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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