SCHEMBL7692473

SCHEMBL7692473

CNC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.38
AXL P30530 3/20 0.38
MERTK Q12866 2/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KIT P10721 2/20 0.36
PDGFRA P16234 2/20 0.36
AURKA O14965 1/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
LMNA P02545 3/20 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
SCHEMBL7694477 0.96 MET (0.44) METAXLMERTKLPAR1LPAR5
SCHEMBL7693432 0.94 MET (0.39) METAXLMERTKLPAR1LPAR5
SCHEMBL7687505 0.93 MET (0.38) METAXLMERTKLPAR1LPAR5
SCHEMBL7689561 0.92 MET (0.40) METAXLMERTKLPAR1LPAR5
SCHEMBL7686564 0.92 LPAR1 (0.43) METAXLMERTKLPAR1LPAR5
SCHEMBL7694588 0.91 SPHK2 (0.38) METAXLMERTKLPAR1LPAR5
SCHEMBL7698067 0.91 MET (0.43) METLPAR1LPAR5CYP2D6AURKA
SCHEMBL7694683 0.91 MET (0.40) METAXLMERTKLPAR1LPAR5
SCHEMBL7698073 0.91 MET (0.43) METLPAR1LPAR5CYP2D6AURKA
SCHEMBL7692913 0.91 LPAR1 (0.39) METLPAR1LPAR5ALDH1A1CYP1A2

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed