SCHEMBL4771138

SCHEMBL4771138

Cc1ccc(C(=CN(C)C)C(=O)O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CSNK2A1 P68400 1/20 0.37
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
UTS2R Q9UKP6 1/20 0.35

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
SCHEMBL4771127 1.00 NFE2L2 (0.45) NFE2L2SMN1; SMN2HTTKMT2AMEN1
SCHEMBL28936364 0.80 CYP11B1 (0.41) RAB9A
SCHEMBL3567499 0.80 MEN1 (0.47) NFE2L2SMN1; SMN2HTTKMT2AMEN1
SCHEMBL3567500 0.80 MEN1 (0.47) NFE2L2SMN1; SMN2HTTKMT2AMEN1
SCHEMBL23832375 0.80 CYP11B1 (0.41) RAB9A
SCHEMBL23832239 0.80 CYP11B1 (0.41) RAB9A
SCHEMBL19795986 0.80 NFE2L2 (0.50) NFE2L2SMN1; SMN2HTTKMT2AMEN1
SCHEMBL9493449 0.79 KMT2A (0.46) SMN1; SMN2KMT2AMEN1
SCHEMBL9333311 0.79 KMT2A (0.46) SMN1; SMN2KMT2AMEN1
SCHEMBL23832199 0.79 ALDH1A1 (0.48) SMN1; SMN2HTTKMT2AMEN1LMNA

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-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP disclosed
EP-1742947-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-17 EP disclosed
WO-2005108398-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-17 WO disclosed