SCHEMBL6961735

SCHEMBL6961735

O=C(CNCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.55
MITF O75030 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC1 Q13547 1/20 0.55
HSP90AA1 P07900 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
PTPRF P10586 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN11 Q06124 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 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
SCHEMBL5179973 0.86 MMP1 (0.58) RECQLMEN1KMT2AMAPTHDAC1
SCHEMBL27852723 0.83 RECQL (0.74) RECQLMEN1KMT2AMAPTALDH1A1
SCHEMBL27841700 0.82 MEN1 (0.74) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL2296061 0.80 MEN1 (0.60) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL15306500 0.80 NAMPT (0.72) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4016784 0.80 ALDH1A1 (0.73) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL5864374 0.80 RECQL (0.69) RECQLMEN1KMT2AMAPTPOLB
SCHEMBL1041853 0.78 MEN1 (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL4075181 0.78 LMNA (0.59) MEN1KMT2AMAPTPOLBHDAC1
SCHEMBL15160744 0.78 RECQL (0.68) RECQLMEN1KMT2AMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed