SCHEMBL15840573

SCHEMBL15840573

Cc1ccc2ncc(N)c(C(C)(C)O)c2c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL15819804 0.84 TNF (0.34) ALOX5APFEN1
SCHEMBL15840579 0.78 TNF (0.36)
SCHEMBL15840576 0.78 PARP1 (0.38)
SCHEMBL17301337 0.77 PDPK1 (0.33)
SCHEMBL17278417 0.73 TNF (0.34)
SCHEMBL15840575 0.70 CNR2 (0.34)
SCHEMBL17278413 0.68 TNF (0.36)
SCHEMBL15840577 0.67 NCF1 (0.43)
SCHEMBL17278409 0.67 PARP1 (0.39)
SCHEMBL15840581 0.66 NR4A2 (0.34)

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-2014100425-A1 PERI-CARBINOLS ALDEXA THERAPEUTICS, INC. (US) 2014-06-26 WO disclosed