SCHEMBL3634339

SCHEMBL3634339

COC(=O)/C=C/c1cc(Cl)ccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ALPL P05186 2/20 0.37
TTR P02766 1/20 0.35
APP P05067 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3828411 0.87 MAPT (0.42) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2237308 0.85 ITGB2 (0.40) MAPTALDH1A1KDM4ECCNCCDK8
SCHEMBL3632989 0.82 MGLL (0.35) MEN1KMT2AGAA
SCHEMBL3633162 0.77 F11 (0.46)
SCHEMBL3633061 0.76 XDH (0.51) MAPTALDH1A1ALPLPTPN1
SCHEMBL27033945 0.76 ALPL (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3634639 0.75 F11 (0.51)
SCHEMBL4021497 0.74 TTR (0.46) MAPTALDH1A1KMT2AKDM4ETTR
SCHEMBL4021494 0.74 TTR (0.46) MAPTALDH1A1KMT2AKDM4ETTR
SCHEMBL3834764 0.74 EGFR (0.43) MAPTKDM4ECCNCCDK8ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
EP-2102189-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed