SCHEMBL2450319

SCHEMBL2450319

NC(=O)C1CCCN(c2ccc(F)c(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 2/20 0.48
PRKDC P78527 1/20 0.48
NOTUM Q6P988 2/20 0.48
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
DPP4 P27487 3/20 0.44
DPP9 Q86TI2 3/20 0.44
DPP7 Q9UHL4 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
PBK Q96KB5 1/20 0.44
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
SYK P43405 1/20 0.43
JAK3 P52333 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL24195929 0.89 PRKDC (0.47) WDR91PRKDCNOTUMHSD17B10GLA
SCHEMBL24195922 0.89 PRKDC (0.47) WDR91PRKDCNOTUMHSD17B10GLA
SCHEMBL2449550 0.84 NOTUM (0.61) WDR91PRKDCNOTUMHSD17B10GLA
SCHEMBL2452218 0.82 BPTF (0.52) PRKDCNOTUMDPP4DPP9DPP7
SCHEMBL2451481 0.81 WDR91 (0.66) WDR91PRKDCNOTUMHSD17B10GLA
SCHEMBL2449229 0.81 NOTUM (0.64) WDR91PRKDCNOTUMHSD17B10GLA
SCHEMBL79756 0.80 WDR91 (0.52) WDR91PRKDCNOTUMHSD17B10GLA
SCHEMBL22491869 0.80 NOTUM (0.59) NOTUMALDH1A1
SCHEMBL22655697 0.80 NOTUM (0.59) NOTUMALDH1A1
SCHEMBL29621605 0.80 NOTUM (0.53) NOTUM

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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed