SCHEMBL7970074

SCHEMBL7970074

Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc(Cl)c(N)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GFER P55789 1/20 0.39
RCE1 Q9Y256 1/20 0.39
CYP3A4 P08684 1/20 0.39
FTO Q9C0B1 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 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
SCHEMBL7970637 0.84 RHEB (0.41) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL10139885 0.83 MAPT (0.60) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL7970842 0.81 NPC1 (0.55) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL7976170 0.81 ITK (0.48) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL10139808 0.81 P2RY6 (0.53) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL10140103 0.80 F9 (0.39) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7971018 0.79 HSD17B10 (0.37) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL7970459 0.78 KDM4E (0.40) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10139913 0.78 F9 (0.43) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL7972135 0.77 PDE10A (0.37) SMN1; SMN2NPC1RAB9AMAPTMEN1

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