SCHEMBL5292567

SCHEMBL5292567

O=c1scc(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.55
GSK3A P49840 4/20 0.55
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
RGS4 P49798 3/20 0.45
RGS8 P57771 3/20 0.45
HPGDS O60760 1/20 0.44
PRKCA P17252 1/20 0.44
IDO1 P14902 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CNR1 P21554 1/20 0.43
P2RX4 Q99571 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL17446086 0.79 ALDH1A1 (0.44) GSK3BGSK3AKDM4EHPGDSIDO1
SCHEMBL4616671 0.77 ALDH1A1 (0.51) KDM4EL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL10338928 0.77 L3MBTL1 (0.51) KDM4EL3MBTL1ALDH1A1LMNARECQL
SCHEMBL9520206 0.73 GSK3B (0.51) GSK3BGSK3AKDM4EPKML3MBTL1
SCHEMBL9664824 0.73 CYP19A1 (0.50) GSK3BGSK3AKDM4EL3MBTL1HPGDS
SCHEMBL17448678 0.72 ALDH1A1 (0.40) GSK3BGSK3AKDM4EPKMHPGDS
SCHEMBL2260831 0.71 GSK3A (0.48) GSK3BGSK3AKDM4EHPGDSIDO1
SCHEMBL17450497 0.71 MAPT (0.50) KDM4ERGS4RGS8CYP11B1CYP11B2
SCHEMBL4616052 0.71 ALDH1A1 (0.43) GSK3BGSK3AKDM4EL3MBTL1ALDH1A1
SCHEMBL11400687 0.71 L3MBTL1 (0.47) KDM4EPKML3MBTL1ALDH1A1LMNA

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-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed