SCHEMBL4443997

SCHEMBL4443997

CN(CCOc1ccc(CN2CC(=O)SC2=O)cc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.55
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RARG P13631 1/20 0.49
RXRA P19793 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GMNN O75496 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 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
SCHEMBL4443995 0.80 PPARG (0.54) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL5381839 0.77 PPARG (0.58) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL5374848 0.75 PPARG (0.61) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL7914462 0.75 PPARG (0.58) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL7060179 0.74 PPARG (0.70) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL11929159 0.73 PPARG (0.72) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL13422203 0.73 PPARG (0.71) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL7920967 0.73 KMT2A (0.60) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL602342 0.72 PPARG (0.67) PPARGMAPTALDH1A1KMT2AKDM4E
SCHEMBL9390256 0.72 PPARG (0.66) PPARGMAPTALDH1A1KMT2AKDM4E

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-2134698-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
US-20050171015-A1 Methods and agents for enhancing bone formation or preventing bone loss NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-04 US disclosed