Nitric Acid

Nitric Acid

SCHEMBL845820

CCOc1cccc([N+](=O)[O-])c1O.O=[N+]([O-])O

nearest known ligand 0.55

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
ALDH1A1 P00352 6/20 0.55
LMNA P02545 5/20 0.55
GPR35 Q9HC97 1/20 0.55
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 6/20 0.51
RECQL P46063 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NR2F2 P24468 1/20 0.50
CASP3 P42574 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TNF P01375 1/20 0.50
NOD1 Q9Y239 1/20 0.50
NPC1 O15118 3/20 0.47

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
SCHEMBL845794 0.97 GPR35 (0.58) ALDH1A1LMNAGPR35MEN1KMT2A
SCHEMBL2436211 0.80 ALDH1A1 (0.79) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30159613 0.80 ALDH1A1 (0.79) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1141627 0.79 TDP1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30072726 0.79 TDP1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2735445 0.79 ALDH1A1 (0.59) ALDH1A1LMNAGPR35MEN1KMT2A
SCHEMBL14601545 0.79 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL645594 0.78 ALDH1A1 (0.67) ALDH1A1LMNAGPR35MEN1KMT2A
SCHEMBL31444118 0.78 ALDH1A1 (0.67) ALDH1A1LMNAGPR35MEN1KMT2A
SCHEMBL10507211 0.78 ALDH1A1 (0.77) ALDH1A1LMNAMEN1KMT2AMAPT

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-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed