SCHEMBL3842013

SCHEMBL3842013

CCCCCCCn1nc(NCCCOc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.44
PPARA Q07869 12/20 0.44
PPARD Q03181 7/20 0.41
SMPD1 P17405 1/20 0.41
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3848920 0.98 PPARG (0.43) PPARGPPARAPPARDSMPD1PSEN1
SCHEMBL3292828 0.90 PPARA (0.40) PPARGPPARAPPARDSMPD1LMNA
SCHEMBL3840691 0.90 SMPD1 (0.39) PPARGPPARASMPD1LMNAHTT
SCHEMBL3841493 0.90 PPARA (0.47) PPARGPPARAPPARDSMPD1PSEN1
SCHEMBL3843762 0.89 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL3284169 0.89 PPARA (0.40) PPARGPPARAPPARDSMPD1LMNA
SCHEMBL3843700 0.89 SMPD1 (0.39) SMPD1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL3848287 0.88 PPARA (0.41) PPARGPPARAPPARDLMNAHTT
SCHEMBL3844532 0.87 PPARA (0.45) PPARGPPARAPPARDSMPD1PSEN1
SCHEMBL3841090 0.86 PPARG (0.47) PPARGPPARAPPARDSMPD1PSEN1

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO disclosed