SCHEMBL7369745

SCHEMBL7369745

N#Cc1cccc(CNc2cc(C(N)=O)c([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
MAPK8 P45983 1/20 0.46
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
VNN1 O95497 4/20 0.45
KAT2B Q92831 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ADRA1D P25100 1/20 0.42
MITF O75030 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
SCHEMBL7378010 0.87 MITF (0.49) NPC1RAB9AATMMAPK8CDK5
SCHEMBL7370622 0.83 MAPT (0.56) NPC1RAB9AATMCDK5CDK5R1
SCHEMBL7373815 0.82 CDK5 (0.53) NPC1RAB9AATMCDK5CDK5R1
SCHEMBL7378291 0.82 CDC7 (0.53) NPC1RAB9AATMCDK5CDK5R1
SCHEMBL7378996 0.80 ALDH1A1 (0.57) NPC1RAB9AATMMAPTKDM4E
SCHEMBL7374361 0.76 MAPT (0.59) NPC1RAB9ACDK5CDK5R1MAPT
SCHEMBL7374301 0.76 MAPT (0.53) NPC1RAB9AATMCDK5CDK5R1
SCHEMBL29411983 0.74 HTR6 (0.58) KAT2BMAPTALDH1A1PKMKMT2A
SCHEMBL12497201 0.74 APP (0.63) CDK5MAPTALDH1A1KMT2ALMNA
SCHEMBL7369837 0.73 MAPT (0.62) NPC1RAB9ACDK5CDK5R1MAPT

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