SCHEMBL8035560

SCHEMBL8035560

COc1ccc(-c2ccccc2NC(=O)C(C)(C)C)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
PDE4D Q08499 3/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
SLC16A3 O15427 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43

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
SCHEMBL8025399 0.91 TOP2A (0.51) TOP2AHTTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8035060 0.87 KMT2A (0.48) TOP2AHTTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16887761 0.87 HTT (0.61) TOP2AHTTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8025349 0.80 ALDH1A1 (0.47) TOP2AHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL1030263 0.73 LMNA (0.74) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2087952 0.73 CETP (0.67) TOP2AALDH1A1KDM4ELMNAALOX12
SCHEMBL16887763 0.73 ATM (0.48) HTTHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL18347806 0.73 MEN1 (0.49) HTTHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL8495853 0.73 CETP (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAALOX12
SCHEMBL1358972 0.72 CETP (0.54) TOP2AHTTHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993449-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS Darwin Discovery Limited (GB) 2000-04-19 EP claimed
WO-1998057936-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1998-12-23 WO claimed
US-6069151-A Quinolines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-30 US disclosed
EP-0993449-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS Darwin Discovery Limited (GB) 2000-04-19 EP disclosed
WO-1998057936-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1998-12-23 WO disclosed