SCHEMBL30540209

SCHEMBL30540209

O=Cc1nccc(Cl)c1-c1cnc(C(F)(F)F)nc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL26635234 0.71 AKR1C3 (0.32) —
SCHEMBL14691566 0.67 NFE2L2 (0.35) ALDH1A1
SCHEMBL31711446 0.67 CCR1 (0.36) ALDH1A1
SCHEMBL29544937 0.67 NFE2L2 (0.35) ALDH1A1
SCHEMBL3368178 0.66 NFE2L2 (0.33) P2RX7
SCHEMBL5303261 0.66 ALDH1A1 (0.34) ALDH1A1
SCHEMBL30996264 0.66 ALDH1A1 (0.40) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL17979362 0.66 TRPA1 (0.34) ALDH1A1
SCHEMBL16635035 0.66 TRPA1 (0.34) ALDH1A1
SCHEMBL30540244 0.65 XDH (0.46) P2RX7ALDH1A1MAPT

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
CN-116621778-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-08-22 — — CN disclosed
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