SCHEMBL5501424

SCHEMBL5501424

N#Cc1c(-c2cccc([N+](=O)[O-])c2)n[nH]c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MYC P01106 1/20 0.54
WDR5 P61964 1/20 0.54
MAPT P10636 3/20 0.53
DDX3X O00571 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL1320097 0.83 ABCC8 (0.48) LMNAMAPTCCNE2CCNE1CDK2
SCHEMBL15063993 0.78 MYC (0.53) LMNAMYCWDR5MAPTDDX3X
SCHEMBL1318754 0.78 CCNT1 (0.46) LMNAMYCWDR5MAPTDDX3X
SCHEMBL23998166 0.77 ADORA2A (0.58) IDO1ATMHPGD
SCHEMBL8132143 0.77 DDX3X (0.42) LMNAMYCWDR5MAPTDDX3X
SCHEMBL8132141 0.77 DDX3X (0.42) LMNAMYCWDR5MAPTDDX3X
SCHEMBL15214874 0.76 ADORA1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2645516 0.75 ADORA1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL14501793 0.74 PARP1 (0.45) MYCWDR5MAPTIDO1SMN1; SMN2
SCHEMBL6383208 0.74 LMNA (0.43) LMNAMYCWDR5MAPTDDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100255275-A1 Magenta Dyes and Inks for Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-10-07 US disclosed
WO-2009044094-A2 MAGENTA DYES AND INKS FOR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-04-09 WO disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
EP-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 EP disclosed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 US disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 EP disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 WO disclosed