SCHEMBL14580985

SCHEMBL14580985

O=C1c2ccccc2C(=O)c2c(Sc3ccccc3)ccc(Sc3ccccc3)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ADORA2A P29274 3/20 0.67
KDM4E B2RXH2 3/20 0.67
MAPK1 P28482 2/20 0.67
NSD2 O96028 1/20 0.67
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 5/20 0.50
CDC25B P30305 3/20 0.47
CDC25A P30304 2/20 0.47
PTPN1 P18031 1/20 0.47
BCL2 P10415 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
MAOA P21397 3/20 0.43
FGR P09769 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK1A1 P48729 1/20 0.43

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
SCHEMBL9846550 0.89 ADORA2A (0.65) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL8089974 0.89 ADORA2A (0.60) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL9846518 0.89 ADORA2A (0.56) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL10663800 0.89 MAPT (0.68) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL22827087 0.89 MAPT (0.86) MAPTADORA2AKDM4EMAPK1NSD2
Anthraquinone SCHEMBL11411972 0.86 MAPT (0.89) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL285567 0.86 MAPT (0.89) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL30475313 0.86 MAPT (0.89) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL4465042 0.86 MAPT (0.89) MAPTADORA2AKDM4EMAPK1NSD2
SCHEMBL9581277 0.85 ADORA2A (0.51) MAPTADORA2AKDM4EMAPK1NSD2

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
US-20070032598-A1 Thermally stable, anthraquinone colorants containing copolymerizable vinyl groups CYR MICHAEL J 2007-02-08 US disclosed