SCHEMBL365757

SCHEMBL365757

CC(=O)[C@@](c1ccccc1)(c1ccnc(C)c1)c1ccc(Cl)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.35
EEF2K O00418 1/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
PHKG2 P15735 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35
AXL P30530 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL364634 0.89 PROKR1 (0.35) PROKR1SMARCA2SMARCA4SORT1RAB9A
SCHEMBL363084 0.88 SORT1 (0.34) PROKR1SMARCA2SMARCA4SORT1KDM4E
SCHEMBL364587 0.88 SORT1 (0.34) PROKR1SMARCA2SMARCA4SORT1KDM4E
SCHEMBL362712 0.88 SORT1 (0.34) PROKR1SMARCA2SMARCA4SORT1KDM4E
SCHEMBL363061 0.86 KCNN4 (0.34) SORT1KDM4EKDM5AKDM4CKDM5B
SCHEMBL363109 0.86 CASR (0.34) CDC7EEF2KPLK4AURKAPDPK1
SCHEMBL363457 0.85 CCR9 (0.38) FLT4PROKR1CCR9
SCHEMBL364004 0.85 MAPT (0.41) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL364575 0.83 KCNN4 (0.40) SMARCA2SMARCA4SORT1FTOKDM4E
SCHEMBL364421 0.81 PROKR1 (0.38) MAPKAPK2PROKR1

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed