SCHEMBL3849202

SCHEMBL3849202

CCCC(C)(Oc1ccc(OCCCNc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
PLA2G4A P47712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
SCN9A Q15858 3/20 0.32
TP53 P04637 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3841459 0.92 PKM (0.34) EPHX2PLA2G4AALDH1A1TSHRMAPK1
SCHEMBL3842276 0.91 TP53 (0.39) PLA2G4AALDH1A1TSHRMAPK1TP53
SCHEMBL3849934 0.90 PPARG (0.38) PLA2G4AALDH1A1TSHRMAPK1TP53
SCHEMBL3846393 0.90 TP53 (0.39) PLA2G4AALDH1A1TSHRMAPK1TP53
SCHEMBL3844301 0.90 PPARG (0.39)
SCHEMBL3841422 0.87 PKM (0.34) EPHX2ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL3284582 0.85 PPARA (0.39) ALDH1A1TSHRMAPK1L3MBTL1POLB
SCHEMBL3841118 0.85 PPARA (0.40)
SCHEMBL3844889 0.84 PPARA (0.42)
SCHEMBL3842289 0.84 PPARG (0.39)

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