SCHEMBL6955073

SCHEMBL6955073

NN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
LMNA P02545 1/20 0.79
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
PLA2G4B P0C869 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.50
FAAH O00519 1/20 0.48
ACHE P22303 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL8789867 0.86 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL8790477 0.84 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL27448293 0.82 CRHBP (0.57) ALDH1A1SMN1; SMN2LMNACYP2C19CRHBP
SCHEMBL11431170 0.76 PLA2G4B (0.68) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL6046672 0.76 RAB9A (0.54) ALDH1A1SMN1; SMN2LMNACYP2C19CRHBP
SCHEMBL8479238 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL656493 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL6965764 0.75 CYP2C9 (1.00) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL1016036 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL6321927 0.75 ALOX5 (0.62) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19

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