SCHEMBL6678101

SCHEMBL6678101

COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2Cl)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 1.00
EGFR P00533 2/20 0.65
PDE4D Q08499 1/20 0.60
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RAF1 P04049 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
BRAF P15056 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK11 Q15759 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL6781511 0.88 MAPK14 (1.00) MAPK14ALDH1A1MAPTTP53HPGD
SCHEMBL6782336 0.88 MAPK14 (1.00) MAPK14ALDH1A1MAPTTP53HPGD
SCHEMBL6679437 0.88 MAPK14 (1.00) MAPK14EGFRALDH1A1MAPTTP53
SCHEMBL6677756 0.88 MAPK14 (1.00) MAPK14EGFRALDH1A1MAPTTP53
SCHEMBL6676301 0.87 MAPK14 (0.77) MAPK14EGFRPDE4DALDH1A1MAPT
SCHEMBL7755234 0.86 MAPK14 (0.92) MAPK14EGFRALDH1A1MAPTTP53
SCHEMBL27527556 0.85 MAPK14 (0.75) MAPK14EGFRALDH1A1MAPTTP53
SCHEMBL6682097 0.84 MAPK14 (0.73) MAPK14EGFRPDE4DALDH1A1MAPT
SCHEMBL6676839 0.82 MAPK14 (0.70) MAPK14PDE4DALDH1A1MAPTHPGD
SCHEMBL6477643 0.82 MAPK14 (0.85) MAPK14ALDH1A1MAPTTP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188389-C Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRA ZENECA LTD (SE) 2005-02-09 CN claimed
EP-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP claimed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US claimed
CN-1359371-A Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRA ZENECA LTD (SE) 2002-07-17 CN claimed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP claimed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO claimed
CN-1188389-C Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRA ZENECA LTD (SE) 2005-02-09 CN disclosed
EP-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP disclosed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
CN-1359371-A Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRA ZENECA LTD (SE) 2002-07-17 CN disclosed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed