SCHEMBL6817820

SCHEMBL6817820

Cc1ccccc1C(=S)c1ccc(Nc2ccccc2NCCCO)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK13 O15264 12/20 0.52
MAPK12 P53778 12/20 0.52
MAPK11 Q15759 12/20 0.52
SYK P43405 1/20 0.39
MT-CO2 P00403 1/20 0.36
BRD4 O60885 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
KDR P35968 1/20 0.35
BCL6 P41182 1/20 0.35
BCOR Q6W2J9 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7067747 0.96 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11SYK
SCHEMBL6820653 0.87 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11SYK
SCHEMBL5174459 0.84 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6816785 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MT-CO2
SCHEMBL6817560 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL1908412 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6820921 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL1897537 0.80 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL7075394 0.80 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL1898336 0.80 MAPK14 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210320-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
US-6566554-B1 Including amino benzothiophenones; useful for treatment of inflammatory diseases in which the production of cytokines is involved in the pathogenesis LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2003-05-20 US disclosed
EP-1210320-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-06-05 EP disclosed
WO-2001005746-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed