SCHEMBL7471497

SCHEMBL7471497

NC(=O)C(Br)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
TRPM8 Q7Z2W7 5/20 0.46
ACP3 P15309 1/20 0.45
ADRA1D P25100 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
EPHX1 P07099 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL1614039 0.85 MEN1 (0.53) PARP1TRPM8ACP3MEN1KMT2A
SCHEMBL8128064 0.85 MEN1 (0.53) PARP1TRPM8ACP3MEN1KMT2A
SCHEMBL9297070 0.83 ACP3 (0.46) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL30544183 0.83 ACP3 (0.46) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL9297066 0.83 ACP3 (0.46) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL15774550 0.82 PARP1 (0.53) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL20526670 0.81 ACP3 (0.45) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL20535015 0.81 ACP3 (0.45) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL30826369 0.81 ACP3 (0.45) PARP1TRPM8ACP3ADRA1DMEN1
SCHEMBL4476170 0.80 APP (0.38) PARP1EPHX1HTR3EHTR3BHTR3A

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