SCHEMBL6635283

SCHEMBL6635283

COc1cc([AsH]CC2(C(N)=O)CCCCC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SLC2A1 P11166 1/20 0.38
ACHE P22303 2/20 0.38
APP P05067 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
P2RY12 Q9H244 2/20 0.37
ALOX5AP P20292 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
SCHEMBL6607445 0.79 SLC2A1 (0.54) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL13075989 0.70 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL297225 0.67 ALOX15 (1.00) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL2073956 0.67 ALOX15 (0.71) ALOX15MAPTGAAALDH1A1P2RY12
SCHEMBL10202005 0.66 ALOX15 (0.79) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL5717811 0.65 P2RY12 (0.64) ALOX15KMT2AMEN1P2RY12
SCHEMBL2072605 0.65 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL6387003 0.65 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL31389251 0.65 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2MAPT
SCHEMBL4409321 0.65 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO disclosed