SCHEMBL6627205

SCHEMBL6627205

O=C(Nc1cccc2c1C(=O)NC2=O)c1cc(Cl)ccc1S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
RXFP1 Q9HBX9 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CASP3 P42574 8/20 0.58
POLB P06746 3/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL22033026 0.76 POLB (0.67) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL22033363 0.75 POLB (0.66) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL14344748 0.75 POLB (0.59) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL11839073 0.75 KDM4E (0.56) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL12857746 0.74 CASP3 (0.78) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL12857607 0.73 CASP3 (1.00) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL11830879 0.73 KDM4E (0.57) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL3379082 0.73 KDM4E (0.58) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL4455080 0.73 KDM4E (0.73) KDM4ERXFP1L3MBTL1CASP3POLB
SCHEMBL7960619 0.72 KDM4E (1.00) KDM4ERXFP1L3MBTL1CASP3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed