SCHEMBL3926261

SCHEMBL3926261

O=CCc1sc2ccc(Cl)cc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.39
CYP2A6 P11509 3/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TBXAS1 P24557 1/20 0.34
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
BCKDK O14874 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ROCK1 Q13464 1/20 0.33
RNASEH1 O60930 1/20 0.33
IDO1 P14902 1/20 0.33
CMA1 P23946 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL6984802 0.81 MAPT (0.54) KDM4EMAPTCYP2A6TBXAS1PIM1
SCHEMBL2552331 0.77 PTGS2 (0.41) CYP2A6MCL1
SCHEMBL19299978 0.71 MCL1 (0.57) KDM4EMAPTKEAP1NFE2L2TBXAS1
SCHEMBL10431976 0.69 CYP2A6 (0.47) KDM4EMAPTCYP2A6PIM1PIM2
SCHEMBL13226866 0.69 MAPT (0.42) KDM4EMAPTCYP2A6KEAP1NFE2L2
SCHEMBL3928426 0.69 CYP2A6 (0.41) MAPTCYP2A6TBXAS1PIM1PIM2
SCHEMBL3686803 0.68 KDM4E (0.46) KDM4ECYP2A6ROCK1CMA1NPSR1
SCHEMBL17256196 0.67 LOXL2 (0.62) KDM4EMAPTMCL1RXFP1L3MBTL1
SCHEMBL5090711 0.67 BCKDK (0.44) KDM4EMAPTCYP2A6KEAP1NFE2L2
SCHEMBL9404660 0.67 KDM4E (0.41) KDM4EMAPTCYP2A6PIM1PIM2

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-2044061-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2009-04-08 EP disclosed
WO-2008011560-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE KAHRAMAN MEHMET (US) 2008-01-24 WO disclosed