SCHEMBL3667074

SCHEMBL3667074

COc1ccc(NC(=O)c2ccc(C=NN(C)C)cc2)c(N2CC(Cl)=CC=C2NC=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AHR P35869 1/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NAMPT P43490 1/20 0.35
PKM P14618 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
SCHEMBL296451 0.68 F10 (0.72) F10F2
SCHEMBL296450 0.68 F10 (0.72) F10F2
SCHEMBL157569 0.68 F10 (0.47) F10KMT2AMEN1MAPTNPC1
SCHEMBL12503549 0.66 F10 (0.55) F10MAPTNPC1RAB9AKDM4E
SCHEMBL891013 0.65 GPR35 (0.40) F10KMT2AMEN1MAPTNPC1
SCHEMBL5419665 0.61 F10 (0.74) F10KMT2AMEN1MAPTNPC1
SCHEMBL16353402 0.60 G6PC1 (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7250878 0.59 F10 (1.00) F10KMT2AMEN1MAPTNPC1
SCHEMBL31680510 0.58 SMN1; SMN2 (0.88) F10KMT2AMEN1MAPTNPC1
SCHEMBL7244178 0.58 F10 (0.73) F10KMT2AMEN1MAPTNPC1

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-2155195-A2 COMBINATION ANTICOAGULANT THERAPY WITH A COMPOUND THAT ACTS AS A FACTOR XA INHIBITOR Millennium Pharmaceuticals, Inc. (US) 2010-02-24 EP claimed
WO-2008127682-A2 COMBINATION ANTICOAGULANT THERAPY WITH A COMPOUND THAT ACTS AS A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-10-23 WO claimed