Nitric Acid

Nitric Acid

SCHEMBL1674

NC(N)=Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1.O=[N+]([O-])O

nearest known ligand 0.57

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
PLAU P00749 2/20 0.49
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
PTPN5 P54829 1/20 0.43
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HGFAC Q04756 3/20 0.37

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
Nitric Acid SCHEMBL5733225 0.78 HTR3E (0.79) PLAUHTR3EHTR3BHTR3AHTR3D
Nitric Acid SCHEMBL1665 0.77 TSHR (0.53) PLAUHTR3EHTR3BHTR3AHTR3D
SCHEMBL11884390 0.77 ITGB3 (0.71) PLAUHTR3EHTR3BHTR3AHTR3D
Hydrazine SCHEMBL28307217 0.75 TSHR (0.52) PTPN5ALDH1A1CYP3A4HPGDALOX15
SCHEMBL1005841 0.75 TSHR (0.55) PTPN5ALDH1A1CYP3A4HPGDALOX15
SCHEMBL1996062 0.75 ALDH1A1 (0.55) PTPN5ALDH1A1CYP3A4HPGDALOX15
Nitric Acid SCHEMBL27330996 0.75 PLAU (0.50) PLAUHTR3EHTR3BHTR3AHTR3D
SCHEMBL1946009 0.74 ALDH1A1 (0.41) PTPN5ALDH1A1CYP3A4HPGDALOX15
Hydrochloric Acid SCHEMBL28212666 0.73 TSHR (0.53) PTPN5ALDH1A1CYP3A4HPGDALOX15
Nitric Acid SCHEMBL1368 0.72 HTR3E (0.72) PLAUHTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed