SCHEMBL9197847

SCHEMBL9197847

CCOC(=O)C(Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK1 Q15118 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
KCNMA1 Q12791 1/20 0.41
HPGD P15428 2/20 0.40
ACLY P53396 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL28900016 0.86 L3MBTL1 (0.48) MEN1KMT2APDK1MAPTLMNA
SCHEMBL28752139 0.85 MEN1 (0.44) MEN1KMT2APDK1MAPTLMNA
SCHEMBL7061413 0.83 L3MBTL1 (0.43) MEN1KMT2APDK1MAPTLMNA
SCHEMBL18371949 0.82 MAPT (0.46) KMT2APDK1MAPTLMNATDP1
SCHEMBL11450832 0.81 CYP3A4 (0.58) LMNAL3MBTL1CYP3A4CYP2C9ALDH1A1
SCHEMBL7828183 0.81 ALDH1A1 (0.54) MEN1KMT2APDK1MAPTLMNA
SCHEMBL5205743 0.79 PKM (0.45) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL17049174 0.79 MAPT (0.55) MEN1KMT2AMAPTLMNATDP1
SCHEMBL18371980 0.79 MAPT (0.44) KMT2APDK1MAPTLMNANPSR1
SCHEMBL1500911 0.78 MEN1 (0.46) MEN1KMT2APDK1MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed
EP-0382687-A2 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-08-16 EP disclosed