SCHEMBL6820656

SCHEMBL6820656

Cc1ccccc1C(=S)c1ccc(Nc2ccc(Br)cc2NC(=O)CCC(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.45
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
MAPK14 Q16539 5/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6817035 0.91 MAPK1 (0.52) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6817036 0.91 MAPK1 (0.52) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6813097 0.88 HTT (0.43) MAPK1KMT2AMAPTMEN1KDM4E
SCHEMBL6817201 0.86 CYP2C19 (0.46) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6817204 0.86 CYP2C19 (0.46) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6817754 0.82 MAPK1 (0.48) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6821228 0.82 MAPK1 (0.46) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6817758 0.82 MAPK1 (0.48) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6094761 0.81 MAPK14 (0.66) MAPK1KMT2AMAPK13MAPK12MAPK11
SCHEMBL6094767 0.81 MAPK14 (0.66) MAPK1KMT2AMAPK13MAPK12MAPK11

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 6 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 claimed
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 claimed
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 claimed
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 claimed
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