SCHEMBL3844355

SCHEMBL3844355

CCCCCCCn1c(=O)c(NCCc2ccc(SC(C)(C)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 3/20 0.41
TBXAS1 P24557 2/20 0.37
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR2 O95136 2/20 0.35
S1PR4 O95977 1/20 0.35
CNOT7 Q9UIV1 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
USP1 O94782 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 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
SCHEMBL3284180 0.92 PPARG (0.40) PPARGPPARAPPARDTBXAS1S1PR1
SCHEMBL3845660 0.90 S1PR1 (0.36) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL3284733 0.89 ALDH1A1 (0.35) PPARGPPARAPPARDCNOT7ALDH1A1
SCHEMBL3841974 0.89 PPARG (0.38) PPARGPPARAPPARDCNOT7MEN1
SCHEMBL3284376 0.87 PPARG (0.38) PPARGPPARAPPARDTBXAS1S1PR1
SCHEMBL3845476 0.86 MAPK14 (0.39) PPARGPPARAALDH1A1TP53MAPK1
SCHEMBL3285318 0.86 PPARG (0.41) PPARGPPARAPPARDTBXAS1S1PR1
SCHEMBL3284328 0.85 PPARG (0.34) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL3840290 0.85 PPARG (0.39) PPARGPPARAPPARDCNOT7TP53
SCHEMBL3842497 0.83 PPARA (0.53) PPARGPPARAPPARD

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed