SCHEMBL4771857

SCHEMBL4771857

O=C(O)C(=CO)c1cc2c(cc1Cl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHEK2 O96017 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4472381 0.79 ALDH1A1 (0.48) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2384632 0.79 ALDH1A1 (0.45) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2384633 0.79 ALDH1A1 (0.45) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10997019 0.75 KMT2A (0.42) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL27390221 0.75 KMT2A (0.42) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17967376 0.70 MAPT (0.43) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17967374 0.70 MAPT (0.43) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10914144 0.70 RAB9A (0.40) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL29921207 0.68 ALDH1A1 (0.57) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7370339 0.68 ALDH1A1 (0.57) MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1

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-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 EP disclosed
EP-1556382-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-07-27 EP disclosed
WO-2004041817-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-05-21 WO disclosed