SCHEMBL7971003

SCHEMBL7971003

C=C(OCc1ccccc1)N1Cc2cc3nc(-c4[nH]nc(-c5ccc(C)cc5)c4O)[nH]c3cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.43
F10 P00742 2/20 0.43
F11 P03951 2/20 0.43
F7 P08709 1/20 0.43
SMPD3 Q9NY59 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AMY1A P0DUB6 1/20 0.33
CHEK1 O14757 3/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33

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
SCHEMBL7970080 0.86 CA12 (0.35) F9F10F11SMPD3PDE4A
SCHEMBL7972241 0.82 F9 (0.41) F9F10F11F7SMPD3
SCHEMBL7970397 0.80 F9 (0.43) F9F10F11F7SMPD3
SCHEMBL10140043 0.76 TMEM97 (0.42) MMP2MMP9MMP8MMP13ADRB1
SCHEMBL7975112 0.76 F9 (0.47) F9F10F11F7SMPD3
SCHEMBL7973327 0.70 CA12 (0.39) F9F10F11KDM4EKMT2A
SCHEMBL7977818 0.69 F9 (0.48) F9F10F11F7KDM4E
SCHEMBL20307797 0.69 F9 (0.47) F9F10F11F7SMPD3
SCHEMBL7978374 0.69 F9 (0.54) F9F10F11F7MAPT
SCHEMBL20307729 0.68 F9 (0.40) F9F10F11F7SMPD3

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