SCHEMBL31442138

SCHEMBL31442138

OC1(c2ccccc2)C=Cc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PARP1 P09874 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL28589444 0.80 MEN1 (0.31)
SCHEMBL6536567 0.77 PARP1 (0.34) HDAC9CA1CA2PARP1
SCHEMBL258234 0.76 PARP1 (0.36) CA1CA2PARP1
SCHEMBL31520302 0.76 PARP1 (0.36) CA1CA2PARP1
SCHEMBL29223962 0.74 CA1 (0.33) HDAC9CA1CA2PARP1
SCHEMBL11856621 0.74 MAOA (0.36) HDAC9CA1CA2PARP1
SCHEMBL8615992 0.74 DRD1 (0.38)
SCHEMBL23781284 0.73 PARP1 (0.34) CA1CA2PARP1
SCHEMBL2151230 0.73 PARP1 (0.34) CA1CA2PARP1
SCHEMBL8351271 0.73 PARP1 (0.34) CA1CA2PARP1

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-119330919-A Preparation method of 8-bromo-6-phenylnaphtho [2,1-b ] benzofuran 中钢天源股份有限公司 2025-01-21 CN disclosed