SCHEMBL11580514

SCHEMBL11580514

Nc1cccc2c1C(=O)c1cccc(Sc3cc(Cl)ccc3Cl)c1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ RHEB Q15382 1/20 0.43
▸ PDE7A Q13946 4/20 0.42
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ FGR P09769 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ CSNK1G1 Q9HCP0 1/20 0.37
▸ MEN1 O00255 2/20 0.35

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
SCHEMBL11580575 0.84 ADORA2A (0.45) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL11583208 0.83 KDM4E (0.55) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL11580664 0.82 ADORA2A (0.45) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL11580908 0.79 ADORA2A (0.45) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL10444623 0.79 KDM4E (0.50) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL11580476 0.76 ADORA2A (0.45) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL10355885 0.76 ADORA2A (0.51) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL6366580 0.76 ADORA2A (0.58) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL9846592 0.75 ADORA2A (0.68) ADORA2AKDM4EMAPTMAPK1NSD2
SCHEMBL8777815 0.75 ADORA2A (0.68) ADORA2AKDM4EMAPTMAPK1NSD2

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-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 — — US disclosed
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