SCHEMBL31459168

SCHEMBL31459168

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ P2RX4 Q99571 2/20 0.31
▸ P2RX7 Q99572 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
SCHEMBL30999140 0.92 ALDH1A1 (0.33) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL31251405 0.92 ALDH1A1 (0.33) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL30153227 0.89 KMT2A (0.40) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL25311599 0.89 KMT2A (0.40) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL26483710 0.89 P2RX4 (0.43) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL30999206 0.89 ALDH1A1 (0.31) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL31737974 0.87 ALDH1A1 (0.36) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL31458865 0.82 ALDH1A1 (0.32) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL25415100 0.82 ALDH1A1 (0.35) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL31459286 0.80 ALDH1A1 (0.32) 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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