SCHEMBL8085243

SCHEMBL8085243

COc1cccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)O)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
MAPT P10636 6/20 0.68
LMNA P02545 3/20 0.64
KDM4E B2RXH2 1/20 0.63
HPGD P15428 1/20 0.63
RAB9A P51151 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTT P42858 1/20 0.56
MDM2 Q00987 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TAAR1 Q96RJ0 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4252190 0.91 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4250109 0.81 KDM4E (0.73) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL8085185 0.78 TAAR1 (0.84) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13701945 0.75 SMN1; SMN2 (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10055020 0.73 NPC1 (0.94) ALDH1A1KMT2ARAB9AHTTRXFP1
SCHEMBL3638734 0.72 TAAR1 (0.82) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL3647714 0.72 TAAR1 (0.82) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8703351 0.72 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4251968 0.72 RXFP1 (0.94) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL30862297 0.72 RXFP1 (0.94) ALDH1A1KMT2AMEN1KDM4ERAB9A

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-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed