SCHEMBL7020596

SCHEMBL7020596

O=[N+]([O-])c1ccc(NNCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
MAPT P10636 9/20 0.57
CRHBP P24387 3/20 0.57
CRHR2 Q13324 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
GAA P10253 2/20 0.54
MAPK1 P28482 3/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL3666032 0.86 MAPT (0.60) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL9395569 0.85 MAPT (0.72) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL27980451 0.79 MAPT (0.51) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL12443496 0.79 CRHBP (0.57) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL15306502 0.79 MEN1 (0.56) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL27562350 0.77 KMT2A (0.52) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL27805395 0.75 MAPT (0.47) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL27406580 0.75 LMNA (0.70) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL14871770 0.75 MAPK1 (0.61) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL293916 0.74 MAPT (0.72) MEN1KMT2AMAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101694485-B Method for utilizing affinity column to analyze holoprotein UNIV SHANGHAI JIAOTONG 2013-01-16 CN disclosed
CN-101694485-A Method for utilizing affinity column to analyze holoprotein UNIV SHANGHAI JIAOTONG 2010-04-14 CN disclosed
EP-1280809-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2003-02-05 EP disclosed
EP-1185536-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2002-03-13 EP disclosed
WO-2001077115-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2001-10-18 WO disclosed
WO-2000069862-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2000-11-23 WO disclosed