SCHEMBL98544

SCHEMBL98544

O=C1NC(=O)C(Cc2cc(=O)[nH]c3ccccc23)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CA2 P00918 1/20 0.45
ALOX15 P16050 1/20 0.45
PPARG P37231 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HPGD P15428 2/20 0.43
MITF O75030 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8932687 0.81 IDO1 (0.54) ALDH1A1KDM4EKMT2AMEN1PPARG
SCHEMBL4773524 0.77 PPARG (0.53) ALDH1A1CA2PPARGMAPTMAOA
SCHEMBL9570635 0.76 MAPT (0.53) ALDH1A1KDM4ECA2PPARGKCNH2
SCHEMBL13846714 0.76 PARP1 (0.46) ALDH1A1KMT2AMEN1CA2PPARG
SCHEMBL4089698 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1ALOX15
SCHEMBL96600 0.76 PPARG (0.48) ALDH1A1KDM4ECA2PPARGSMN1; SMN2
SCHEMBL13846727 0.75 PPARG (0.47) PPARGMAPT
SCHEMBL4089575 0.74 MAPT (0.50) ALDH1A1KDM4EKMT2AMEN1CA2
SCHEMBL30430848 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1ALOX15
SCHEMBL8687818 0.74 MAPT (0.44) ALDH1A1KDM4ECA2PPARGKCNH2

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-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP claimed