SCHEMBL8529033

SCHEMBL8529033

CC(=O)OCCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 3/20 0.37
VCAM1 P19320 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
GLA P06280 1/20 0.33
ATM Q13315 1/20 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
SCHEMBL29360765 1.00 MMP14 (0.40) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL9587843 0.95 ALDH1A1 (0.37) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL30440193 0.95 ALDH1A1 (0.37) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL9587847 0.95 ALDH1A1 (0.37) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL19486756 0.94 MMP14 (0.36) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL9587995 0.91 RECQL (0.40) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL9587993 0.91 RECQL (0.40) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL9005022 0.90 RECQL (0.39) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL30954894 0.90 RECQL (0.39) MMP14RECQLLMNAMAPTALDH1A1
SCHEMBL9005020 0.90 RECQL (0.39) MMP14RECQLLMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107385979-B Corn yarn carpet ink-jet printing process 阳信诺瑞织品有限公司 2021-04-09 CN disclosed
EP-0827988-A1 Mixtures of disperse dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-03-11 EP disclosed
US-4274831-A Process for dyeing or printing synthetic fiber materials by means of disperse dyes, and colorant compositions utilizable for this purpose PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1981-06-23 US disclosed
US-4192800-A Process for the manufacture of aromatic nitriles IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-03-11 US disclosed