SCHEMBL7478288

SCHEMBL7478288

NC(=O)C(Br)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.48
EPHX1 P07099 1/20 0.47
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
KCNH2 Q12809 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
TNF P01375 1/20 0.46
MMP9 P14780 1/20 0.44
AOC3 Q16853 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL7469569 0.85 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6839913 0.85 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5716820 0.82 UGT2B7 (0.53) UGT2B7EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL7440695 0.81 CES2 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8120372 0.79 UGT2B7 (0.50) UGT2B7EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL1137612 0.78 UGT2B7 (0.58) UGT2B7EPHX1MMP9
SCHEMBL29941609 0.78 UGT2B7 (0.58) UGT2B7EPHX1MMP9
SCHEMBL7336112 0.77 SLC6A3 (0.50) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27175927 0.77 CES2 (0.48) EPHX1CES2CES1MEN1KMT2A
Hydrochloric Acid SCHEMBL5969924 0.76 UGT2B7 (0.56) UGT2B7EPHX1SLC6A2SLC6A4SLC6A3

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-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