Nitric Acid

Nitric Acid

SCHEMBL2913167

COc1cccc(N=C(N)N)c1.O=[N+]([O-])O

nearest known ligand 0.79

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
HTR3E A5X5Y0 6/20 0.79
HTR3B O95264 6/20 0.79
HTR3A P46098 6/20 0.79
HTR3D Q70Z44 6/20 0.79
HTR3C Q8WXA8 6/20 0.79
TAAR1 Q96RJ0 1/20 0.77
SIGMAR1 Q99720 1/20 0.55
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
ACR P10323 2/20 0.53
PRSS1 P07477 1/20 0.53
HGFAC Q04756 1/20 0.46
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
AHR P35869 1/20 0.44
KMT2A Q03164 1/20 0.44
FURIN P09958 1/20 0.44
SLC22A2 O15244 1/20 0.44

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
SCHEMBL2944424 0.89 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6953528 0.84 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1591 0.81 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7813484 0.80 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL6955447 0.78 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7234964 0.78 MAOB (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1412 0.78 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5471239 0.78 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1363670 0.76 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1368 0.76 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C

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-2222682-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO disclosed