SCHEMBL6468646

SCHEMBL6468646

CCCCC(CC)Nc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)c4ccc(C)cc4)nc32)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34
PTGES O14684 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 2/20 0.33

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
SCHEMBL6135112 0.87 PPARG (0.45) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6500342 0.86 PPARG (0.48) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6134381 0.86 MAPT (0.45) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6502741 0.86 PPARG (0.42) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6501073 0.85 PTGS2 (0.42) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6493091 0.85 PTGS2 (0.43) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6299780 0.84 MAPT (0.48) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6491984 0.84 PTGS2 (0.38) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6491376 0.84 ALDH1A1 (0.46) PPARGPTGS2PTGS1MAPTALDH1A1
SCHEMBL6491654 0.83 PPARG (0.45) PPARGPTGS2PTGS1MAPTALDH1A1

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-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed