SCHEMBL3924189

SCHEMBL3924189

COc1cc(NC(C)=O)c(C)c(NC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
ADORA3 P0DMS8 2/20 0.45
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL20922186 0.89 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTTSHRHSD17B1
SCHEMBL16134063 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTTSHRHSD17B1
SCHEMBL16134069 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTTSHRHSD17B1
SCHEMBL359701 0.79 MAPT (0.56) SMN1; SMN2LMNAHTTTSHRHSD17B1
SCHEMBL29098689 0.79 HPGD (0.61) SMN1; SMN2LMNAHTTTSHRHSD17B1
SCHEMBL11362638 0.78 ALDH1A1 (0.60) SMN1; SMN2LMNATSHRALDH1A1KDM4E
SCHEMBL3914119 0.77 LMNA (0.56) SMN1; SMN2LMNATSHRALDH1A1KDM4E
SCHEMBL28485570 0.77 LMNA (0.56) SMN1; SMN2LMNAHTTTSHRALDH1A1
SCHEMBL9837774 0.77 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTHSD17B1HSD17B2
SCHEMBL374670 0.77 HSD17B1 (0.48) SMN1; SMN2LMNAHTTTSHRHSD17B1

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-2032524-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-03-11 EP disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847526-A1 Coupling compounds and hair dyeing compositions containg them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed