SCHEMBL5044649

SCHEMBL5044649

Cc1cccc(NC(C)C(=O)OCC#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
HSD17B10 Q99714 1/20 0.42
GAA P10253 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IMPDH2 P12268 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9468478 0.81 HSD17B10 (0.50) HSD17B10GAAHTTLMNAALOX15
SCHEMBL11336739 0.80 CTSL (0.53) CTSLCTSBCTSKHTTALDH1A1
SCHEMBL12121319 0.76 MAPT (0.55) HSD17B10GAAHTTLMNAALOX15
SCHEMBL5044675 0.75 CYP1A2 (0.51) CTSKHSD17B10GAAHTTLMNA
SCHEMBL29588182 0.75 NPSR1 (0.53) HSD17B10GAAALDH1A1MEN1KMT2A
SCHEMBL4431827 0.75 NPSR1 (0.53) HSD17B10GAAALDH1A1MEN1KMT2A
SCHEMBL4431825 0.75 NPSR1 (0.53) HSD17B10GAAALDH1A1MEN1KMT2A
SCHEMBL6249680 0.73 SYK (0.56) HSD17B10GAAALDH1A1MEN1KMT2A
SCHEMBL5048747 0.72 CYP1A2 (0.48) HSD17B10GAAHTTLMNAIMPDH2
SCHEMBL31121211 0.70 ALDH1A1 (0.52) HSD17B10GAAL3MBTL1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed