SCHEMBL7960905

SCHEMBL7960905

C=C(N)c1ccc(-c2ccc(-c3n[nH]c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.46
F10 P00742 3/20 0.46
F11 P03951 3/20 0.46
F7 P08709 2/20 0.46
MITF O75030 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
PARP1 P09874 2/20 0.30
DHODH Q02127 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
SCHEMBL7972949 0.91 F9 (0.46) F9F10F11F7MITF
SCHEMBL7969287 0.87 F9 (0.46) F9F10F11F7MITF
SCHEMBL7975112 0.81 F9 (0.47) F9F10F11F7
SCHEMBL16258933 0.81 F9 (0.47) F9F10F11F7
SCHEMBL7969289 0.81 F9 (0.48) F9F10F11F7
SCHEMBL7977818 0.78 F9 (0.48) F9F10F11F7DHODH
SCHEMBL7973330 0.77 F9 (0.44) F9F10F11F7PARP1
SCHEMBL7980064 0.74 GSK3B (0.49) F9F10F11F7PARP1
SCHEMBL7969756 0.74 F10 (0.42) F9F10F11F7
SCHEMBL7973518 0.73 F9 (0.43) F9F10F11F7

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed