SCHEMBL29620124

SCHEMBL29620124

CC(O)(c1nc(Br)ccc1F)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.33
▸ MAP3K14 Q99558 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL24333441 1.00 TRPV3 (0.33) TRPV3MAP3K14TNKSPARP1TNKS2
SCHEMBL13058585 0.75 — —
SCHEMBL26684995 0.73 CCNA2 (0.34) —
SCHEMBL23967093 0.73 — —
SCHEMBL22528538 0.73 — —
SCHEMBL31631820 0.73 — —
SCHEMBL16026134 0.72 — —
SCHEMBL16077137 0.72 — —
SCHEMBL17742617 0.72 — —
SCHEMBL15065650 0.70 — —

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-2022082174-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC. (US) 2022-04-21 — — WO disclosed
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