SCHEMBL6967368

SCHEMBL6967368

N=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.69
MEN1 O00255 8/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 3/20 0.69
MITF O75030 1/20 0.69
POLB P06746 1/20 0.69
MAPT P10636 7/20 0.56
ALOX12 P18054 2/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 1/20 0.55
PAX8 Q06710 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.54

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
SCHEMBL5696151 0.81 MEN1 (1.00) KMT2AMEN1NPC1RAB9AMITF
Benzoic Acid SCHEMBL3748811 0.80 MEN1 (0.64) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL5047835 0.80 NPC1 (0.69) KMT2AMEN1NPC1RAB9AMITF
Ammonia Solution, Strong SCHEMBL27362324 0.80 MEN1 (0.97) KMT2AMEN1NPC1RAB9AMITF
Iodide SCHEMBL30758586 0.80 MEN1 (0.97) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL27822572 0.79 MEN1 (0.71) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL16470335 0.78 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL393417 0.78 ALDH1A1 (0.48) KMT2AMEN1NPC1RAB9APKM
SCHEMBL14877369 0.78 CES1 (0.75) KMT2AMEN1NPC1RAB9AMITF
Nitrobenzene SCHEMBL6056557 0.77 ALDH1A1 (0.59) KMT2AMEN1NPC1RAB9AMITF

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