SCHEMBL6961817

SCHEMBL6961817

O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
TAAR1 Q96RJ0 1/20 0.65
FFAR1 O14842 1/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
MITF O75030 1/20 0.60
POLB P06746 1/20 0.60
MMP13 P45452 1/20 0.60
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
THRB P10828 1/20 0.58
PTPRF P10586 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN11 Q06124 1/20 0.58

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
SCHEMBL11615300 0.94 RAB9A (0.74) CA2SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL16369739 0.89 SMN1; SMN2 (0.71) CA2SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL5767299 0.86 CA2 (0.71) CA2SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL14238254 0.86 CA2 (0.71) CA2SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL6962971 0.85 SMN1; SMN2 (0.89) SMN1; SMN2NPC1RAB9ATAAR1MEN1
SCHEMBL18610093 0.85 CA2 (0.69) CA2SMN1; SMN2NPC1RAB9AFFAR1
SCHEMBL6358626 0.85 SMN1; SMN2 (0.75) CA2SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL19358908 0.85 CXCR4 (0.70) CA2SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL4156900 0.84 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9ATAAR1FFAR1
SCHEMBL1083633 0.84 MEN1 (0.77) SMN1; SMN2RAB9AFFAR1MEN1KMT2A

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 11 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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN 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
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
EP-0379416-B1 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed
US-5086170-A PROCESS FOR THE PREPARATION OF AZABICYCLO COMPOUNDS ROUSSEL UCLAF (FR) 1992-02-04 US disclosed
US-5059596-A AZABICYCLO COMPOUNDS ROUSSEL UCLAF (FR) 1991-10-22 US disclosed
EP-0379416-A2 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-25 EP disclosed