SCHEMBL6515640

SCHEMBL6515640

CCOC(=O)C(C)(C)Sc1cccc(CCCn2nc(C3CCCC3)c(=O)n(Cc3ccccc3)c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 6/20 0.35
ADORA2A P29274 2/20 0.34
FAAH O00519 1/20 0.34
CHRNA7 P36544 1/20 0.34
PPARA Q07869 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6515691 0.89 PPARA (0.31) ADORA3PPARA
SCHEMBL6515694 0.89 PPARA (0.31) ADORA3PPARA
SCHEMBL6509723 0.85 PPARA (0.50) FAAHPPARA
SCHEMBL6512124 0.83 PPARA (0.51) FAAHPPARA
SCHEMBL6511112 0.83 PPARA (0.42) MEN1KMT2ATP53LMNAPPARA
SCHEMBL6512146 0.82 PPARA (0.49) PPARA
SCHEMBL6508401 0.80 PPARA (0.49) FAAHPPARA
SCHEMBL6508372 0.79 PPARA (0.51) PPARA
SCHEMBL6513188 0.79 PPARA (0.51) PPARA
SCHEMBL3284363 0.79 PPARA (0.40) MEN1KMT2ATP53ADORA3PPARA

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
WO-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 WO disclosed