SCHEMBL6400902

SCHEMBL6400902

Cc1cc(F)ccc1C(=O)c1ccc(Nc2ccc(Br)cc2NC(=O)OC2CCCC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.55
MAPK12 P53778 10/20 0.55
MAPK11 Q15759 10/20 0.55
MAPK14 Q16539 10/20 0.55
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL6394489 0.92 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6396062 0.91 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6400247 0.89 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6401565 0.88 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6395553 0.87 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6398542 0.86 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6905610 0.86 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6402341 0.86 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7647177 0.85 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198762 0.85 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14NPC1

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
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US claimed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed