SCHEMBL7239157

SCHEMBL7239157

COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)ccc2C)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.80
TP53 P04637 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
CSF1R P07333 1/20 0.67
USP2 O75604 1/20 0.64
MAPT P10636 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RAF1 P04049 1/20 0.58
BRAF P15056 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK11 Q15759 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL6782336 0.89 MAPK14 (1.00) MAPK14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL6781511 0.89 MAPK14 (1.00) MAPK14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL6532398 0.87 MAPK14 (0.72) MAPK14TP53SMN1; SMN2RAB9ACSF1R
SCHEMBL6475666 0.83 MAPK14 (0.68) MAPK14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL6781371 0.82 MAPK14 (0.76) MAPK14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL2980389 0.82 MAPK14 (0.86) MAPK14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL6487458 0.81 MAPK14 (0.75) MAPK14TP53NPC1RAB9AMAPT
SCHEMBL6477643 0.81 MAPK14 (0.85) MAPK14TP53CSF1RMAPTCYP1A2
SCHEMBL6477379 0.81 MAPK14 (0.85) MAPK14TP53CSF1RMAPTCYP1A2
SCHEMBL6787334 0.81 MAPK14 (0.74) MAPK14TP53NPC1RAB9AMAPT

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
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