SCHEMBL7370622

SCHEMBL7370622

NC(=O)c1cc(NCc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.56
HTR6 P50406 2/20 0.56
PKM P14618 2/20 0.55
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51

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
SCHEMBL7374361 0.86 MAPT (0.59) MAPTKMT2AMEN1HTR6L3MBTL1
SCHEMBL7374301 0.86 MAPT (0.53) MAPTKMT2AMEN1HTR6L3MBTL1
SCHEMBL7373815 0.86 CDK5 (0.53) MAPTKMT2AMEN1GAAPKM
SCHEMBL7378291 0.86 CDC7 (0.53) MAPTKMT2AGAAHTR6PKM
SCHEMBL7378010 0.83 MITF (0.49) MAPTGAAHTR6L3MBTL1ALDH1A1
SCHEMBL7369837 0.83 MAPT (0.62) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL7378902 0.83 MAPT (0.55) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7369745 0.83 NPC1 (0.49) MAPTKMT2AGAAHTR6PKM
SCHEMBL7378996 0.83 ALDH1A1 (0.57) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL7374362 0.80 MAPT (0.56) MAPTKMT2AMEN1GAAMAPK1

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