SCHEMBL7378010

SCHEMBL7378010

N#Cc1ccc(CNc2cc(C(N)=O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.49
RAB9A P51151 3/20 0.48
KAT2B Q92831 1/20 0.46
MERTK Q12866 1/20 0.45
MAPT P10636 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 3/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
MAPK8 P45983 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7369745 0.87 NPC1 (0.49) MITFRAB9AKAT2BMAPTCDK5
SCHEMBL7374301 0.84 MAPT (0.53) MITFRAB9AMAPTL3MBTL1CDK5
SCHEMBL7374361 0.84 MAPT (0.59) MITFRAB9AMAPTL3MBTL1CDK5
SCHEMBL7370622 0.83 MAPT (0.56) MITFRAB9AMAPTL3MBTL1CDK5
SCHEMBL7378902 0.81 MAPT (0.55) MITFRAB9AMAPTNPC1KDM4E
SCHEMBL25831547 0.78 MAPT (0.58) RAB9AKAT2BMERTKMAPTL3MBTL1
SCHEMBL20919464 0.78 MAPT (0.58) MERTKMAPTL3MBTL1TDP1CYP3A4
SCHEMBL22481564 0.77 MAPT (0.68) RAB9AKAT2BMERTKMAPTL3MBTL1
SCHEMBL7373815 0.76 CDK5 (0.53) MITFRAB9AMAPTL3MBTL1CDK5
SCHEMBL7378291 0.76 CDC7 (0.53) MITFRAB9AMAPTCDK5CDK5R1

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