SCHEMBL3844829

SCHEMBL3844829

CCCCCCCn1nc(OCCOc2ccc(SC(C)(C)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.39
PKM P14618 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PLA2G4B P0C869 3/20 0.36
RARB P10826 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 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
SCHEMBL3841033 0.90 SMPD1 (0.38) SMPD1PKMMAPK14TP53TSHR
SCHEMBL3284982 0.90 SMPD1 (0.38) SMPD1PKMMAPK14TP53TSHR
SCHEMBL3844604 0.88 KMT2A (0.36) SMPD1PLA2G4BMAPTHTTMEN1
SCHEMBL3844116 0.88 PLA2G4B (0.38) SMPD1PLA2G4BMAPTHTTMEN1
SCHEMBL3844828 0.85 PPARG (0.36) PKMMAPK14TP53TSHRPLA2G4B
SCHEMBL3286825 0.78 PPARA (0.36) SMPD1MAPTHTTMEN1KMT2A
SCHEMBL3846159 0.78 GGPS1 (0.36) SMPD1PLA2G4BMAPTHTTMEN1
SCHEMBL3287365 0.78 PPARA (0.36) SMPD1PLA2G4BMAPTHTTMEN1
SCHEMBL3845124 0.78 PPARA (0.52)
SCHEMBL3842642 0.78 PPARA (0.51)

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