SCHEMBL11580527

SCHEMBL11580527

Nc1cccc2c1C(=O)c1cccc(Sc3cccc4ccccc34)c1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.56
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ PTPRC P08575 1/20 0.47
▸ MAOA P21397 2/20 0.43
▸ CSNK1A1 P48729 2/20 0.43
▸ CSNK1D P48730 2/20 0.43
▸ CSNK1G1 Q9HCP0 2/20 0.43
▸ FGR P09769 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ HIPK2 Q9H2X6 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ HSD17B10 Q99714 1/20 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
SCHEMBL11582997 0.87 ADORA2A (0.54) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL6366580 0.82 ADORA2A (0.58) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL11579534 0.81 MAPT (0.75) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL1683323 0.80 ADORA2A (0.65) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL10339614 0.78 MAPT (0.64) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL11581942 0.77 MAPT (0.84) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL11421896 0.75 MAPT (0.69) ADORA2AMAPTMAPK1KDM4ENSD2
SCHEMBL29944895 0.75 ADORA2A (0.86) ADORA2AMAPTMAPK1PTPRCMAOA
SCHEMBL64318 0.75 ADORA2A (0.86) ADORA2AMAPTMAPK1PTPRCMAOA
SCHEMBL11583208 0.75 KDM4E (0.55) ADORA2AMAPTMAPK1KDM4ENSD2

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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