SCHEMBL8259696

SCHEMBL8259696

COc1ccc(O)cc1-c1cnc(N)cn1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 15/20 0.52
ALOX5AP P20292 15/20 0.52
FYN P06241 2/20 0.40
PDE10A Q9Y233 1/20 0.40
TGFBR1 P36897 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL5550517 0.83 ALOX5AP (0.53) FEN1ALOX5AP
SCHEMBL481771 0.81 ALOX5AP (0.51) FEN1ALOX5APFYN
SCHEMBL2644580 0.78 ALOX5AP (0.68) FEN1ALOX5AP
SCHEMBL13729541 0.76 KDM1A (0.52) FEN1ALOX5AP
SCHEMBL6075271 0.74 ALOX5AP (0.53) FEN1ALOX5AP
SCHEMBL6703514 0.73 ALOX5AP (0.52) FEN1ALOX5APFYNPDE10A
SCHEMBL15915519 0.73 ALOX5AP (0.56) FEN1ALOX5AP
SCHEMBL6074984 0.72 ALOX5AP (0.48) FEN1ALOX5AP
SCHEMBL1702391 0.72 ALOX5AP (0.45) FEN1ALOX5AP
SCHEMBL15205210 0.69 FEN1 (0.46) FEN1ALOX5APPDE10A

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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 WO disclosed