SCHEMBL6570477

SCHEMBL6570477

Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(OCC(O)CN(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.66
SMO Q99835 2/20 0.65
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
RAF1 P04049 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
BRAF P15056 1/20 0.62
ALOX15 P16050 1/20 0.62
MAPK11 Q15759 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HIF1A Q16665 1/20 0.48
CSF1R P07333 1/20 0.47

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
SCHEMBL6487649 0.91 MAPK14 (0.59) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6477223 0.90 MAPK14 (0.65) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL27481605 0.89 MAPK14 (0.53) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6528122 0.86 MAPK14 (0.49) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6487696 0.85 MAPK14 (0.59) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6485478 0.85 MAPK14 (0.71) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6484472 0.84 MAPK14 (0.58) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6477189 0.82 MAPK14 (0.67) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6477708 0.81 MAPK14 (0.65) MAPK14SMOKDM4EALDH1A1MAPT
SCHEMBL6476616 0.80 MAPK14 (0.71) MAPK14SMOKDM4EALDH1A1MAPT

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
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed