SCHEMBL6402341

SCHEMBL6402341

Cc1c(Cl)cccc1C(=O)c1ccc(Nc2ccc(Br)cc2NC(=O)OC2CCCC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.50
MAPK12 P53778 10/20 0.50
MAPK11 Q15759 10/20 0.50
MAPK14 Q16539 10/20 0.50
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
TP53 P04637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL6395553 0.94 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6396062 0.88 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6394489 0.87 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6400247 0.87 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6400902 0.86 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6903370 0.85 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7647816 0.84 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6401565 0.82 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6398542 0.81 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6909999 0.81 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14MAPT

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