SCHEMBL5283987

SCHEMBL5283987

Cc1sc(=O)n(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GSK3B P49841 6/20 0.51
GSK3A P49840 4/20 0.51
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
RGS4 P49798 3/20 0.46
RGS8 P57771 3/20 0.46
MAPK1 P28482 2/20 0.46
PRKCA P17252 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TNF P01375 1/20 0.44

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
SCHEMBL4616447 0.81 GSK3B (0.56) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9868147 0.75 KDM4E (0.49) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL4614657 0.74 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL5283806 0.73 ALDH1A1 (0.41) KDM4EPKML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5284424 0.73 ALDH1A1 (0.41) KDM4EPKML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17446112 0.72 ALDH1A1 (0.41) KDM4EPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL4615745 0.71 GSK3B (0.47) KDM4EGSK3BGSK3ASMN1; SMN2LMNA
SCHEMBL28474139 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL12806949 0.71 GSK3B (0.51) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL12733743 0.70 GSK3B (0.50) KDM4EPKML3MBTL1GSK3BGSK3A

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