SCHEMBL2016548

SCHEMBL2016548

COC(=O)c1ncc2ccccc2c1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G2A P14555 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 2/20 0.39
PDE10A Q9Y233 1/20 0.39
PTGES O14684 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
SCHEMBL2012015 0.86 HCAR2 (0.44)
SCHEMBL2015417 0.78 HIF1A (0.43) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL28117989 0.72 PARP1 (0.47) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9938469 0.71 MAPK1 (0.50) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL28007224 0.70 MAOA (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL902640 0.70 ALDH1A1 (0.52) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9938264 0.69 BRD4 (0.51) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9938380 0.69 MRGPRX4 (0.68) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL8883145 0.69 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1656083 0.68 EGLN2 (0.65)

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed