Nitric Acid

Nitric Acid

SCHEMBL7002139

COc1cc(NC(=N)N)cc(O)c1OC.O=[N+]([O-])O

nearest known ligand 0.42

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
TPMT P51580 2/20 0.40
TDP2 O95551 1/20 0.40
CASP3 P42574 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.38
ALOX5 P09917 1/20 0.37
STAT3 P40763 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36

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 SCHEMBL4162364 0.92 L3MBTL1 (0.46) TDP2CASP3CASP9CASP6CASP8
Nitric Acid SCHEMBL1184611 0.82 MEN1 (0.46) GAAMAPK1ALOX5MEN1KMT2A
SCHEMBL4164719 0.81 MAPT (0.47) L3MBTL1ATMMEN1KMT2ASMN1; SMN2
Nitric Acid SCHEMBL7240326 0.81 L3MBTL1 (0.38) TDP2CASP3CASP9CASP6CASP8
Nitric Acid SCHEMBL6034752 0.80 ALOX5 (0.56) L3MBTL1GAAMAPK1ALOX5MEN1
Nitric Acid SCHEMBL1185356 0.80 ALOX5 (0.56) L3MBTL1GAAMAPK1ALOX5MEN1
Nitric Acid SCHEMBL1183979 0.77 PLAU (0.49) L3MBTL1GAAMAPK1MEN1KMT2A
Nitric Acid SCHEMBL2511257 0.74 HTT (0.47) L3MBTL1MAPK1ALOX5MEN1KMT2A
Nitric Acid SCHEMBL1361894 0.73 ALOX5 (0.45) GAAMAPK1ALOX5MEN1KMT2A
Nitric Acid SCHEMBL7002143 0.72 HTR3E (0.47) TPMTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6599908-B1 Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed