SCHEMBL6965842

SCHEMBL6965842

Fc1ccc(NCCCn2cncn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
MAPK1 P28482 1/20 0.49
CSNK2A2 P19784 1/20 0.43
FGFR2 P21802 1/20 0.43
KDR P35968 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
NAMPT P43490 1/20 0.42
KMT2A Q03164 4/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL23609248 0.86 TLR8 (0.45) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23875506 0.86 MAPT (0.51) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23609486 0.81 LMNA (0.49) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23608966 0.81 CYP19A1 (0.40) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23608967 0.79 QPCT (0.39) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23609484 0.78 HPGDS (0.38) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23608891 0.78 FPR3 (0.40) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL23609770 0.78 CSNK2A2 (0.38) CYP19A1MAPK1CSNK2A2FGFR2KDR
SCHEMBL10836121 0.77 NAMPT (0.61) CYP19A1NAMPTKMT2AMEN1KDM4E
SCHEMBL23608970 0.76 CYP19A1 (0.46) CYP19A1MAPK1CSNK2A2FGFR2KDR

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-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed