SCHEMBL4775814

SCHEMBL4775814

COc1ccc(-c2cc3c4cc(OC(=O)O)ccc4n(C)c3n(C)c2=O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EDNRB P24530 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39

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
SCHEMBL2381071 0.87 KDM4E (0.44) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL3564916 0.84 MAPT (0.48) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL3572244 0.81 MAPT (0.44) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL2385324 0.76 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL3571744 0.75 ALDH1A1 (0.37) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL1340064 0.74 MAPT (0.41) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL2382891 0.73 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL3573768 0.70 CRHR1 (0.35) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL1337357 0.70 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1RAB9AAPAF1
SCHEMBL2384414 0.69 PADI4 (0.44) ALDH1A1MAPTNPSR1RAB9AAPAF1

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-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 — — EP claimed
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