SCHEMBL6813097

SCHEMBL6813097

COc1ccc(C(=S)c2ccc(Nc3ccc(Br)cc3NC(=O)CCC(=O)O)cc2F)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 1/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 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
SCHEMBL6817865 0.91 HTT (0.44) HTTAKR1C3AKR1C2KMT2AALDH1A1
SCHEMBL6817857 0.91 HTT (0.44) HTTAKR1C3AKR1C2KMT2AALDH1A1
SCHEMBL6820656 0.88 MAPK1 (0.46) KMT2AALDH1A1MAPTTDP1TP53
SCHEMBL6817328 0.82 MAPT (0.44) HTTAKR1C2KMT2AALDH1A1MAPT
SCHEMBL6821228 0.81 MAPK1 (0.46) KMT2AALDH1A1MAPTTDP1MAPK1
SCHEMBL6905065 0.81 AKR1C3 (0.49) AKR1C3AKR1C2KMT2AALDH1A1MAPT
SCHEMBL6820873 0.79 MAPK1 (0.46) KMT2AALDH1A1TDP1GAAMAPK1
SCHEMBL6817036 0.79 MAPK1 (0.52) KMT2AMAPTTDP1TP53MAPK1
SCHEMBL6817035 0.79 MAPK1 (0.52) KMT2AMAPTTDP1TP53MAPK1
SCHEMBL7646956 0.78 AKR1C3 (0.46) AKR1C3AKR1C2KMT2AALDH1A1MAPT

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
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