SCHEMBL8017018

SCHEMBL8017018

Cc1c(SCCN2CCOCC2)ccnc1COc1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.41
CNR1 P21554 1/20 0.40
ACVR1 Q04771 1/20 0.39
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KCNH2 Q12809 2/20 0.39
HTR4 Q13639 2/20 0.39
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SYK P43405 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
SCHEMBL8914577 0.76 KDM4E (0.45) KDM4EALDH1A1LMNATP53MAPK1
SCHEMBL8915212 0.76 KDM4E (0.43) PDE10AKDM4EALDH1A1LMNATP53
SCHEMBL8918377 0.76 SIGMAR1 (0.42) PDE10AKDM4EALDH1A1LMNATP53
SCHEMBL9213950 0.75 PDE10A (0.41) PDE10AKDM4EALDH1A1LMNATP53
SCHEMBL8915606 0.73 RAB9A (0.69) PDE10AALDH1A1RAB9AHPGDHSD17B10
SCHEMBL8916044 0.73 USP2 (0.49) PDE10AKDM4EALDH1A1LMNATP53
SCHEMBL8914486 0.71 KDM4E (0.49) PDE10AKDM4EALDH1A1LMNATP53
SCHEMBL8914024 0.70 L3MBTL1 (0.45) PDE10AKDM4EALDH1A1TP53HPGD
SCHEMBL8914183 0.70 GAA (0.50) PDE10AKDM4EALDH1A1RAB9AHPGD
SCHEMBL8915877 0.70 POLB (0.47) KDM4EALDH1A1LMNAMAPK1HPGD

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
JP-2000212180-A QUINOLINE COMPOUND WELFIDE CORP 2000-08-02 JP disclosed