SCHEMBL7466780

SCHEMBL7466780

NC(=O)C(Br)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.44
ACP3 P15309 1/20 0.41
AOC3 Q16853 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
IDO2 Q6ZQW0 2/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
OPRL1 P41146 3/20 0.38
OPRM1 P35372 2/20 0.38
CYP2C9 P11712 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 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
SCHEMBL10459782 0.82 CXCL8 (0.43) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL9297918 0.82 ACP3 (0.42) ACP3AOC3IDO1TDO2IDO2
SCHEMBL8128086 0.82 MEN1 (0.46) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL9297917 0.82 ACP3 (0.42) ACP3AOC3IDO1TDO2IDO2
SCHEMBL5112227 0.82 MEN1 (0.46) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL365284 0.82 MEN1 (0.46) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL9518776 0.81 CXCL8 (0.47) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL23300492 0.78 CXCL8 (0.45) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL5065343 0.78 CASP1 (0.49) CXCL8ACP3AOC3IDO1TDO2
SCHEMBL2838988 0.78 CXCL8 (0.45) CXCL8ACP3AOC3IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459362-A N-aryl-2- (2-hydroxybenzyloxy) acetamides, preparation method and application thereof 湖南科技大学 2024-08-09 CN disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed