SCHEMBL6965764

SCHEMBL6965764

O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
HPGD P15428 1/20 0.71
KMT2A Q03164 1/20 0.71
ADAMTS5 Q9UNA0 1/20 0.68
ALDH1A1 P00352 9/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
RXFP1 Q9HBX9 1/20 0.65
FAAH O00519 2/20 0.64
ACHE P22303 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.61
SGMS1 Q86VZ5 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
SCHEMBL9271414 0.87 CYP2C9 (0.77) CYP2C9CYP2C19HPGDKMT2AADAMTS5
SCHEMBL24585221 0.85 CYP2C9 (0.73) CYP2C9CYP2C19HPGDKMT2AADAMTS5
SCHEMBL9272690 0.84 CYP2C9 (0.72) CYP2C9CYP2C19HPGDKMT2AADAMTS5
SCHEMBL5272168 0.84 KMT2A (1.00) CYP2C9CYP2C19HPGDKMT2AALDH1A1
SCHEMBL6585055 0.84 CYP2C9 (0.72) CYP2C9CYP2C19KMT2AADAMTS5ALDH1A1
SCHEMBL9273340 0.83 KMT2A (0.84) CYP2C9CYP2C19HPGDKMT2AADAMTS5
SCHEMBL9271748 0.81 KMT2A (0.82) CYP2C9CYP2C19HPGDKMT2AADAMTS5
SCHEMBL9273628 0.81 KMT2A (0.82) CYP2C9CYP2C19HPGDKMT2AADAMTS5
SCHEMBL11316237 0.81 MAPT (0.76) CYP2C9CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL599832 0.81 CYP2C9 (0.67) CYP2C9CYP2C19KMT2AADAMTS5FAAH

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 7 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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed