SCHEMBL5884174

SCHEMBL5884174

CN(CCOc1ccc(C=O)cc1)c1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PPARG P37231 4/20 0.39
CYP3A4 P08684 1/20 0.38
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL1201631 0.83 MAPT (0.66) ALDH1A1KDM4EMAPTPKMHTT
SCHEMBL5884071 0.80 PPARG (0.67) ALDH1A1KDM4EMAPTPKMHTT
SCHEMBL5884072 0.80 PPARG (0.67) ALDH1A1KDM4EMAPTPKMHTT
SCHEMBL6157752 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPKMHTT
SCHEMBL4748573 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTPKMHTT
SCHEMBL209831 0.75 HRH3 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6805395 0.74 PPARG (0.67) ALDH1A1KDM4EMAPTPKMHTT
Hydrochloric Acid SCHEMBL5692377 0.74 HRH3 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL7160719 0.73 MAPT (0.63) ALDH1A1KDM4EMAPTPKMHTT
SCHEMBL7160716 0.73 MAPT (0.63) ALDH1A1KDM4EMAPTPKMHTT

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
US-7001910-B1 Thiazolidinedione derivatives as antidiabetic agents VITA-INVEST S.A. (ES) 2006-02-21 US disclosed
EP-1231211-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA INVEST SA (ES) 2003-05-28 EP disclosed
EP-1231211-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA-INVEST, S.A. (ES) 2002-08-14 EP disclosed