SCHEMBL7973329

SCHEMBL7973329

Cc1ccc(-c2n[nH]c(-c3nc4cc(F)c(C#N)cc4[nH]3)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.45
F10 P00742 2/20 0.45
F11 P03951 2/20 0.45
F7 P08709 1/20 0.45
MAP3K8 P41279 1/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SMPD3 Q9NY59 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPBWR1 P48145 1/20 0.36
GUSB P08236 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10172741 0.83 F9 (0.53) F9F10F11F7MAP3K8
SCHEMBL16258970 0.82 F9 (0.48) F9F10F11F7MAP3K8
SCHEMBL20307796 0.82 F9 (0.44) F9F10F11F7MAP3K8
SCHEMBL7971071 0.82 F9 (0.40) F9F10F11MAP3K8CYP11B1
SCHEMBL10139793 0.81 F9 (0.46) F9F10F11F7MAP3K8
SCHEMBL7975674 0.81 F9 (0.56) F9F10F11F7GUSB
SCHEMBL7975112 0.77 F9 (0.47) F9F10F11F7SMPD3
SCHEMBL20307797 0.74 F9 (0.47) F9F10F11F7SMPD3
SCHEMBL7978374 0.74 F9 (0.54) F9F10F11F7NPBWR1
SCHEMBL7969419 0.74 F9 (0.52) F9F10F11F7MAP3K8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed