SCHEMBL6965769

SCHEMBL6965769

CC(=O)N(Cc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
NR3C1 P04150 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAOB P27338 1/20 0.45
AR P10275 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6957841 0.80 ALOX5 (0.47) SMN1; SMN2CRHBPCRHR2NR3C1MAOB
SCHEMBL6955075 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL8632180 0.76 GSK3B (0.49) ALDH1A1CYP2C9CYP2C19HTTMAOB
SCHEMBL7338924 0.75 MMP14 (0.46) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KCNH2
SCHEMBL19439043 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL20582642 0.74 CRHBP (0.53) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL8789867 0.74 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL29280749 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL2777891 0.73 LMNA (0.42) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL27036962 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2

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