SCHEMBL7239155

SCHEMBL7239155

CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OC)c(OC)c3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.66
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.55
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.50
NQO2 P16083 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6475666 0.90 MAPK14 (0.68) MAPK14ALDH1A1LMNAPOLBNPC1
SCHEMBL6777518 0.86 POLB (0.74) MAPK14ALDH1A1LMNAPOLBNPC1
SCHEMBL6787334 0.83 MAPK14 (0.74) MAPK14ALDH1A1LMNAPOLBNPC1
SCHEMBL6781371 0.83 MAPK14 (0.76) MAPK14ALDH1A1POLBNPC1RAB9A
SCHEMBL6487458 0.82 MAPK14 (0.75) MAPK14ALDH1A1POLBNPC1RAB9A
SCHEMBL6532402 0.82 MAPK14 (0.67) MAPK14ALDH1A1TP53MAPTTDP1
SCHEMBL6478248 0.81 MAPK14 (0.74) MAPK14ALDH1A1LMNAPOLBNPC1
SCHEMBL6477111 0.81 MAPK14 (0.70) MAPK14ALDH1A1POLBNPC1RAB9A
SCHEMBL6782336 0.80 MAPK14 (1.00) MAPK14ALDH1A1POLBNPC1RAB9A
SCHEMBL6781511 0.80 MAPK14 (1.00) MAPK14ALDH1A1POLBNPC1RAB9A

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