SCHEMBL7374362

SCHEMBL7374362

COc1ccccc1CNc1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL7369837 0.82 MAPT (0.62) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7370622 0.80 MAPT (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7378902 0.80 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7377328 0.80 PDE5A (0.48) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7378996 0.80 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5627138 0.79 MAPT (0.63) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL25408229 0.78 TP53 (0.63) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL5476925 0.76 MAPT (0.54) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7374301 0.76 MAPT (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2698732 0.74 MAPT (0.58) MAPTALDH1A1MEN1KMT2ATP53

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