SCHEMBL9044674

SCHEMBL9044674

O=[N+]([O-])c1ccc(-c2c(Cl)ncnc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.50
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
APP P05067 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL12496111 0.80 MAPT (0.54) ADKMAPTLMNAMEN1KMT2A
SCHEMBL9047230 0.80 ALDH1A1 (0.51) ADKMAPTLMNACYP1A2ALDH1A1
SCHEMBL9046792 0.77 KDM1A (0.56) ADKMAPTMEN1KMT2AALDH1A1
SCHEMBL9046762 0.76 MEN1 (0.68) MAPTLMNAADORA3MEN1KMT2A
SCHEMBL27833684 0.74 NPC1 (0.45) ADKMAPTLMNAADORA3MEN1
SCHEMBL4063214 0.73 MAPT (0.47) ADKMAPTLMNAKMT2ACYP1A2
SCHEMBL4338065 0.73 CSF1R (0.52) MAPTLMNAADORA3MEN1KMT2A
SCHEMBL5349645 0.73 MMP2 (0.47) MAPTADORA3MEN1KMT2AALDH1A1
SCHEMBL11222729 0.73 IDO1 (0.47) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL16229339 0.73 MAPT (0.40) MAPTLMNAMEN1KMT2AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed