Nitric Acid

Nitric Acid

SCHEMBL1673

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

nearest known ligand 0.54

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
P2RX1 P51575 5/20 0.51
P2RX4 Q99571 1/20 0.51
P2RX7 Q99572 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.47
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KIF11 P52732 1/20 0.41
BCHE P06276 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GRIK1 P39086 1/20 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 SCHEMBL4476163 0.90 P2RX1 (0.48) P2RX1P2RX4P2RX7TMPRSS4MAPT
Nitric Acid SCHEMBL4467533 0.83 ACP1 (0.48) P2RX1P2RX4P2RX7TMPRSS4MAPT
Nitric Acid SCHEMBL4474668 0.82 ATF1 (0.46) P2RX1P2RX4P2RX7TMPRSS4MAPT
Nitric Acid SCHEMBL4476359 0.80 TMPRSS4 (0.46) P2RX1TMPRSS4MAPTMEN1LMNA
SCHEMBL12475189 0.80 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4MAPT
SCHEMBL12475193 0.80 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4MAPT
SCHEMBL11010708 0.80 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4MAPT
Nitric Acid SCHEMBL4479271 0.79 ALDH1A1 (0.55) MAPTMEN1LMNAKMT2ANPSR1
Nitric Acid SCHEMBL1664 0.78 TSHR (0.50) MAPTMEN1LMNAKMT2ANPC1
SCHEMBL28345196 0.78 P2RX1 (0.57) P2RX1P2RX4P2RX7TMPRSS4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 EP disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed