SCHEMBL4762397

SCHEMBL4762397

Cn1c(=O)c(-c2ccc(C=O)cc2)cc2c3cc(C(=O)O)ccc3n(C)c21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.37
▸ TBXAS1 P24557 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ PPARG P37231 1/20 0.34
▸ UNG P13051 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ PTGER4 P35408 3/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL3570598 0.88 ALDH1A1 (0.46) ALDH1A1HPGDMAPT
SCHEMBL3569292 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDPPARGPTGER4
SCHEMBL4765213 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDTBXAS1PPARG
SCHEMBL1339208 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDMAPT
SCHEMBL1339005 0.77 ALDH1A1 (0.42) KDM4EALDH1A1MAPK14MAPT
SCHEMBL1338146 0.77 MEN1 (0.39) KDM4EALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL4766131 0.77 HRH3 (0.43) KDM4EALDH1A1HPGDPPARGPTGER4
SCHEMBL4767544 0.77 MEP1B (0.41) KDM4EPPARGMAPT
SCHEMBL3135471 0.76 KMT2A (0.36) KDM4EALDH1A1PPARGMAPT
SCHEMBL3135467 0.76 KMT2A (0.39) KDM4EALDH1A1PPARGMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 — — EP disclosed
EP-1742947-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-17 — — EP disclosed
WO-2005108398-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-17 — — WO disclosed
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