SCHEMBL7975674

SCHEMBL7975674

Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.56
F10 P00742 2/20 0.56
F11 P03951 2/20 0.56
F7 P08709 2/20 0.56
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GUSB P08236 3/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL7978212 0.81 F9 (0.65) F9F10F11F7KDM4E
SCHEMBL7973329 0.81 F9 (0.45) F9F10F11F7KDM4E
SCHEMBL10140099 0.81 ALDH1A1 (0.40) F9F10F11F7KDM4E
SCHEMBL7960247 0.80 F9 (0.60) F9F10F11F7KDM4E
SCHEMBL10139793 0.79 F9 (0.46) F9F10F11F7KDM4E
SCHEMBL10172741 0.76 F9 (0.53) F9F10F11F7METAP2
SCHEMBL20307796 0.75 F9 (0.44) F9F10F11F7KDM4E
SCHEMBL10172525 0.75 F10 (0.59) F9F10F11F7KDM4E
SCHEMBL7974859 0.73 F9 (0.68) F9F10F11F7KDM4E
SCHEMBL7976096 0.73 CHEK2 (0.54) F9F10F11F7KDM4E

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