SCHEMBL20525637

SCHEMBL20525637

COc1ccc2c(Oc3ccc(N4CCCC4=O)cc3F)ccnc2c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MET P08581 9/20 0.41
PDE10A Q9Y233 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK1 O14757 1/20 0.39
AXL P30530 1/20 0.39
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
P2RX7 Q99572 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL20525560 0.97 LMNA (0.44) LMNAHPGDTSHRMETPDE10A
SCHEMBL20525618 0.85 MET (0.43) METAXL
SCHEMBL371815 0.84 MET (0.56) METAXL
SCHEMBL371607 0.82 MET (0.57) METAXL
SCHEMBL20216670 0.80 MET (0.49) METAXL
SCHEMBL20525677 0.79 MET (0.46) MET
SCHEMBL15404759 0.79 MET (0.43) MET
SCHEMBL8324767 0.79 HPGD (0.63) LMNAHPGDTSHRPDE10AMAPT
SCHEMBL29741392 0.79 HPGD (0.63) LMNAHPGDTSHRPDE10AMAPT
SCHEMBL15426783 0.78 MET (0.47) LMNAHPGDTSHRMETAXL

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-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed