Nitric Acid

Nitric Acid

SCHEMBL7388296

CCOC(=O)c1cc([N+](=O)[O-])cnc1OCC.N.O=[N+]([O-])O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR6 P51684 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.43
AKR1B1 P15121 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1313734 0.96 MAPT (0.53) MAPTL3MBTL1POLBSMN1; SMN2NPC1
Nitric Acid SCHEMBL7392245 0.89 MAPT (0.46) MAPTL3MBTL1POLBSMN1; SMN2NPC1
SCHEMBL7246181 0.87 MAPT (0.50) MAPTL3MBTL1POLBSMN1; SMN2NPC1
SCHEMBL28403320 0.85 OPRK1 (0.47) MAPTL3MBTL1POLBSMN1; SMN2NPC1
SCHEMBL6442334 0.85 MAPT (0.48) MAPTL3MBTL1POLBSMN1; SMN2NPC1
SCHEMBL2332293 0.82 MAPT (0.55) MAPTPOLBSMN1; SMN2NPC1KDM4E
SCHEMBL12113212 0.82 L3MBTL1 (0.45) MAPTL3MBTL1POLBSMN1; SMN2NPC1
SCHEMBL3586448 0.82 AKR1B1 (0.47) MAPTL3MBTL1POLBKDM4EKMT2A
SCHEMBL8321809 0.81 MAPT (0.54) MAPTPOLBSMN1; SMN2NPC1KDM4E
SCHEMBL6772078 0.81 MAPT (0.46) MAPTL3MBTL1POLBSMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO disclosed