SCHEMBL8154429

SCHEMBL8154429

CCCC(NC(C)C)C(=O)C(=O)NCc1ccc(-n2cccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SCN9A Q15858 3/20 0.42
GCGR P47871 1/20 0.41
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CTSK P43235 2/20 0.40
MAPK1 P28482 2/20 0.40
ADAM10 O14672 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 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
SCHEMBL14943761 0.89 LMNA (0.45) LMNASCN9AGCGRTNKSPARP1
SCHEMBL12481355 0.88 LMNA (0.44) LMNASCN9AGCGRTNKSPARP1
SCHEMBL12401674 0.87 LMNA (0.43) LMNASCN9AGCGRTNKSPARP1
SCHEMBL15338722 0.84 SCN9A (0.46) LMNASCN9AGCGRTNKSPARP1
SCHEMBL8132918 0.78 LMNA (0.48) LMNAMAPK1NAMPTKLKB1
SCHEMBL12413652 0.76 KDM4E (0.46) LMNACTSKMAPK1NAMPTKLKB1
SCHEMBL17469086 0.74 LMNA (0.55) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL23775645 0.73 SCN9A (0.38) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL23755092 0.73 ANPEP (0.42) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL14438268 0.71 NOTUM (0.49) LMNAPARP1MAPK1CCNE1CDK2

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-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed