Nitric Acid

Nitric Acid

SCHEMBL9735918

CC1OC(Cn2cncn2)(c2ccc(F)cc2F)C1C.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
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 11/20 0.39
CYP2C9 P11712 7/20 0.39
CYP2C19 P33261 5/20 0.39
LMNA P02545 3/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP51A1 Q16850 1/20 0.39
ABCB11 O95342 1/20 0.36
CYP17A1 P05093 1/20 0.36
PTGS2 P35354 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CYP8B1 Q9UNU6 1/20 0.36
THRB P10828 1/20 0.34
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP3A7 P24462 1/20 0.33

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 SCHEMBL9735924 1.00 KDM4E (0.42) KDM4ECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL9197163 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL9735697 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL9197539 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL9844129 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL9821120 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL9200913 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL9201689 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL2346412 0.82 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19LMNACYP19A1
SCHEMBL8574154 0.82 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19LMNACYP19A1

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
US-5134152-A 1,2,4-Triazole compounds SANKYO COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0431968-A1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents Sankyo Company Limited (JP) 1991-06-12 EP disclosed