SCHEMBL17469086

SCHEMBL17469086

CC(=O)NCc1ccc(-n2cccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SCN9A Q15858 3/20 0.53
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
MAPK1 P28482 2/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NOTUM Q6P988 1/20 0.46
KLKB1 P03952 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL1124286 0.82 TGM2 (0.52) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL1313357 0.82 LMNA (0.52) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL13701947 0.81 L3MBTL1 (0.62) LMNATNKSPARP1TNKS2MAPK1
SCHEMBL3094168 0.80 KDM4E (0.50) LMNASCN9AMAPK1PIK3CDPIK3CA
SCHEMBL1032919 0.80 NOTUM (0.53) LMNASCN9AMAPK1KMT2AKDM4E
SCHEMBL17864343 0.80 NOTUM (0.53) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL14617665 0.79 PPID (0.63) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL23545613 0.77 KDM4E (0.51) LMNASCN9APARP1MAPK1KMT2A
SCHEMBL21426081 0.77 LMNA (0.45) LMNASCN9ATNKSPARP1TNKS2
SCHEMBL14508050 0.77 KLKB1 (0.56) LMNASCN9ATNKSPARP1TNKS2

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed