SCHEMBL6957148

SCHEMBL6957148

O=C(N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.65
CRHR2 Q13324 2/20 0.65
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KCNH2 Q12809 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
MC4R P32245 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSB P07858 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6962369 0.91 KCNH2 (0.64) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL6957942 0.91 KCNH2 (0.64) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL6963390 0.88 ALDH1A1 (0.59) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL16373478 0.84 CES1 (0.52) ALDH1A1LMNACYP1A2CYP2C19MEN1
SCHEMBL6955771 0.84 MMP1 (0.54) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL9762547 0.81 KCNH2 (0.53) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL11542075 0.80 CRHBP (0.68) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL4901176 0.79 CRHBP (0.50) CRHBPCRHR2ALDH1A1LMNAKCNH2
SCHEMBL6968790 0.79 KDM4E (0.47) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6960934 0.78 KCNH2 (0.58) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2

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