SCHEMBL6401997

SCHEMBL6401997

Cc1ccccc1C(=O)c1ccc(Nc2ccccc2NC(=O)OCOC(=O)CCC(=O)O)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.75
MAPK13 O15264 13/20 0.75
MAPK12 P53778 13/20 0.75
MAPK11 Q15759 13/20 0.75
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 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
SCHEMBL6402814 0.94 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6395586 0.92 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6394607 0.91 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6400648 0.89 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2201115 0.89 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6396138 0.86 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6393200 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6095615 0.85 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6402344 0.85 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6095607 0.85 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11AVPR2

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 2 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 disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed