SCHEMBL3842289

SCHEMBL3842289

CCCC(C)(Oc1cccc(CCNc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
KCNH2 Q12809 4/20 0.39
CYP2D6 P10635 2/20 0.37
PPARD Q03181 1/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
PCSK9 Q8NBP7 1/20 0.35
TPSAB1 Q15661 1/20 0.34
CNR1 P21554 1/20 0.34
GRM2 Q14416 2/20 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
SCHEMBL3841118 0.96 PPARA (0.40) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3844889 0.95 PPARA (0.42) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3841989 0.92 PPARA (0.46) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3843706 0.91 PPARA (0.44) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3843436 0.90 PPARA (0.46) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3844859 0.90 PPARA (0.42) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3844910 0.89 PPARA (0.41) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3842928 0.89 PPARA (0.42) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3842107 0.88 PPARG (0.38) PPARGPPARAKCNH2CYP2D6PPARD
SCHEMBL3844487 0.88 PPARA (0.48) PPARGPPARACYP2D6PPARD

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