SCHEMBL7973330

SCHEMBL7973330

Oc1c(-c2ccc(C3CCCC3)cc2)n[nH]c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
F11 P03951 1/20 0.44
F7 P08709 1/20 0.44
RAF1 P04049 1/20 0.38
DGAT1 O75907 5/20 0.34
SOAT1 P35610 2/20 0.34
DHODH Q02127 1/20 0.33
NOTUM Q6P988 1/20 0.32
FOXO1 Q12778 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL16258933 0.84 F9 (0.47) F9F10F11F7KDM4E
SCHEMBL7975112 0.84 F9 (0.47) F9F10F11F7ALDH1A1
SCHEMBL10140031 0.80 SIGMAR1 (0.37) RAF1DGAT1SOAT1DHODHALDH1A1
SCHEMBL7969289 0.80 F9 (0.48) F9F10F11F7DGAT1
SCHEMBL7969287 0.80 F9 (0.46) F9F10F11F7DHODH
SCHEMBL7973385 0.80 SIGMAR1 (0.39) RAF1DGAT1SOAT1DHODHALDH1A1
SCHEMBL7977818 0.79 F9 (0.48) F9F10F11F7DHODH
SCHEMBL7959321 0.78 F10 (0.40) F9F10F11F7PRKAB2
SCHEMBL7972949 0.77 F9 (0.46) F9F10F11F7DHODH
SCHEMBL7960905 0.77 F9 (0.46) F9F10F11F7DHODH

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