SCHEMBL3794402

SCHEMBL3794402

COc1ccc(-c2cc3cc(CN4CCSC(=O)C4=O)cc(NC4CCOCC4)c3[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPK1 P28482 7/20 0.35
TNIK Q9UKE5 3/20 0.35
CSF1R P07333 2/20 0.34
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ACHE P22303 1/20 0.33
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 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
SCHEMBL3000481 0.81 ACP1 (0.41) CSF1RACHEAURKAJAK2JAK3
SCHEMBL3420155 0.73 ACP1 (0.43) ROCK2ROCK1ACHEAURKAJAK2
SCHEMBL29163429 0.72 CSF1R (0.43) MAPK1CSF1R
SCHEMBL30183228 0.70 CSF1R (0.43) CSF1RPDE1APDE1BPDE1CTUBB4A
SCHEMBL1897623 0.69 CSF1R (0.42) MAPK1CSF1R
SCHEMBL29386984 0.69 CSF1R (0.42) MAPK1CSF1R
SCHEMBL25015330 0.69 CSF1R (0.42) MAPK1CSF1RPDE1APDE1BTUBB4A
SCHEMBL3011705 0.69 VCP (0.41) POLBMAPK1CSF1RJAK2
SCHEMBL30224119 0.68 CARM1 (0.35) MAPK1CSF1RCARM1
SCHEMBL29185257 0.68 CARM1 (0.35) MAPK1CSF1RCARM1

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-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed