SCHEMBL7398689

SCHEMBL7398689

O=c1cnc(-c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GSK3B P49841 2/20 0.43
PLK1 P53350 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
CXCR2 P25025 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7364055 0.92 RAB9A (0.48) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL7396948 0.88 ABL1 (0.47) MEN1KMT2AGSK3BPLK1RAB9A
SCHEMBL7366117 0.84 P4HTM (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7391711 0.81 MEN1 (0.45) ALOX12L3MBTL1MEN1KMT2AMAPT
SCHEMBL10338395 0.80 KCNH2 (0.43) MEN1KMT2AGSK3BNPC1RAB9A
SCHEMBL7398132 0.80 VCP (0.40) ALOX12L3MBTL1NPC1RAB9AMAPT
SCHEMBL7396951 0.76 KMT2A (0.62) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL9669035 0.75 PRKAB2 (0.35) MAPT
SCHEMBL7396855 0.74 MEN1 (0.46) MEN1KMT2APLK1NPC1RAB9A
SCHEMBL10830069 0.73 ALDH1A1 (0.36) LMNAALDH1A1

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
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP disclosed