SCHEMBL6679437

SCHEMBL6679437

COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2Br)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 1.00
TP53 P04637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 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
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
BRAF P15056 1/20 0.57
HPGD P15428 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
SMN1; SMN2 Q16637 1/20 0.57
SMO Q99835 1/20 0.55

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
SCHEMBL7755234 0.96 MAPK14 (0.92) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL6782336 0.88 MAPK14 (1.00) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL6781511 0.88 MAPK14 (1.00) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL6677756 0.88 MAPK14 (1.00) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL6678101 0.88 MAPK14 (1.00) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL27527556 0.85 MAPK14 (0.75) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL2980389 0.81 MAPK14 (0.86) MAPK14TP53ALDH1A1NPC1RAB9A
SCHEMBL6477379 0.80 MAPK14 (0.85) MAPK14TP53ALDH1A1KDM4ERAF1
SCHEMBL6477643 0.80 MAPK14 (0.85) MAPK14TP53ALDH1A1KDM4ERAF1
SCHEMBL6476701 0.78 MAPK14 (0.79) MAPK14TP53ALDH1A1KDM4ERAF1

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
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