SCHEMBL16160384

SCHEMBL16160384

O=C1NC(=O)c2ccccc2/C1=C/C=C/c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.74
▸ APP P05067 8/20 0.74
▸ SNCA P37840 8/20 0.74
▸ METAP1 P53582 2/20 0.68
▸ MAPK1 P28482 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CMA1 P23946 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MITF O75030 2/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ PARP1 P09874 1/20 0.50

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
SCHEMBL3762229 0.85 MAPT (1.00) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL16160398 0.84 MAPT (0.79) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL11598589 0.81 METAP1 (1.00) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL11598594 0.81 METAP1 (1.00) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL17762754 0.80 MAPT (0.63) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL8064186 0.79 CMA1 (0.61) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL16160388 0.79 PARP1 (0.75) MAPTAPPSNCAMAPK1ALDH1A1
SCHEMBL16149331 0.79 PARP1 (0.75) MAPTAPPSNCAMAPK1ALDH1A1
SCHEMBL4044276 0.78 METAP1 (1.00) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL13848519 0.78 METAP1 (1.00) MAPTAPPSNCAMETAP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014164667-A1 DENGUE AND WEST NILE VIRUS PROTEASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2014-10-09 — — WO disclosed
Send feedback