SCHEMBL7960247

SCHEMBL7960247

Cc1cc2[nH]c(-c3[nH]nc(-c4ccccc4)c3O)nc2cc1CN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.60
F10 P00742 2/20 0.60
F11 P03951 2/20 0.60
F7 P08709 2/20 0.60
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
GAPDH P04406 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7974859 0.82 F9 (0.68) F9F10F11F7KDM4E
SCHEMBL10140103 0.82 F9 (0.39) F9F10F11F7KDM4E
SCHEMBL16258970 0.81 F9 (0.48) F9F10F11F7KDM4E
SCHEMBL7975674 0.80 F9 (0.56) F9F10F11F7KDM4E
SCHEMBL7978374 0.76 F9 (0.54) F9F10F11F7ALDH1A1
SCHEMBL20307797 0.76 F9 (0.47) F9F10F11F7KDM4E
SCHEMBL10172525 0.76 F10 (0.59) F9F10F11F7KDM4E
SCHEMBL7973776 0.75 F10 (1.00) F9F10F11F7PLAU
SCHEMBL7978364 0.74 F10 (0.60) F9F10F11F7KDM4E
SCHEMBL7978212 0.73 F9 (0.65) 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