SCHEMBL7369837

SCHEMBL7369837

NC(=O)c1cc(NCc2ccccc2Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 1/20 0.50
LMNA P02545 2/20 0.49
CD38 P28907 1/20 0.48
PRKCQ Q04759 3/20 0.46
AURKA O14965 1/20 0.45

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
SCHEMBL7370622 0.83 MAPT (0.56) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL7374362 0.82 MAPT (0.56) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL7374361 0.81 MAPT (0.59) MAPTL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL7373815 0.81 CDK5 (0.53) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL9422885 0.78 MAPT (0.66) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL9422922 0.78 MAPT (0.66) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL7328985 0.77 MAPT (1.00) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL23270782 0.76 MAPT (0.71) MAPTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL7374301 0.76 MAPT (0.53) MAPTL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL7377328 0.76 PDE5A (0.48) MAPTL3MBTL1KMT2AMEN1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085871-A4 QUINAZOLINONE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL MYERS SQUIBB CO (US) 2001-10-04 EP disclosed
EP-1085871-A1 QUINAZOLINONE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-28 EP disclosed
US-6087368-A AN ENZYME INHIBITOR TREATING ERECTILE DYSFUNCTION OF SEX DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-07-11 US disclosed
WO-1999064004-A1 QUINAZOLINONE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-16 WO disclosed