SCHEMBL3713252

SCHEMBL3713252

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(CCNC(C)=O)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 1/20 0.47
MGLL Q99685 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 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
SCHEMBL2121400 1.00 MAPT (0.47) MAPTLMNAMGLLKDM5BKMT2A
SCHEMBL2121394 1.00 MAPT (0.47) MAPTLMNAMGLLKDM5BKMT2A
SCHEMBL479484 0.92 MAPT (0.49) MAPTLMNAKMT2AMEN1GAA
SCHEMBL479483 0.92 MAPT (0.49) MAPTLMNAKMT2AMEN1GAA
SCHEMBL480525 0.91 MAPT (0.44) MAPTLMNAMGLLKDM5BKMT2A
SCHEMBL3148593 0.91 PTPN1 (0.42) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL480528 0.91 MAPT (0.44) MAPTLMNAMGLLKDM5BKMT2A
SCHEMBL3148605 0.91 PTPN1 (0.42) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL479564 0.91 HIF1A (0.40) MAPTLMNAKMT2APLK4CHEK1
SCHEMBL479562 0.91 HIF1A (0.40) MAPTLMNAKMT2APLK4CHEK1

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-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed