SCHEMBL7378902

SCHEMBL7378902

COc1ccc(CNc2cc(C(N)=O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
HPGD P15428 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CD38 P28907 1/20 0.50
KCNMA1 Q12791 1/20 0.49
MITF O75030 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47

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
SCHEMBL7378996 0.87 ALDH1A1 (0.57) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL7374361 0.84 MAPT (0.59) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL7374301 0.84 MAPT (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7370622 0.83 MAPT (0.56) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL7377328 0.83 PDE5A (0.48) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL12100638 0.82 MAPT (0.58) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4309629 0.82 MAPT (0.62) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL12099879 0.81 KMT2A (0.51) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL7378010 0.81 MITF (0.49) MAPTCRHBPCRHR2HPGDNPC1
SCHEMBL7374362 0.80 MAPT (0.56) MAPTMEN1KMT2AHPGDKDM4E

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