Nitric Acid

Nitric Acid

SCHEMBL9872877

O=[N+]([O-])O.OCCc1cccc2ccccc12

nearest known ligand 0.50

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 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
HSP90AA1 P07900 1/20 0.48
HNF4A P41235 1/20 0.48
MTNR1A P48039 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NQO2 P16083 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL27550 0.87 CYP1A2 (0.54) ACP3MTNR1ATDP1NQO2CYP1A2
SCHEMBL5250295 0.79 ACP3 (0.49) ACP3MTNR1ATDP1ALDH1A1NQO2
SCHEMBL2312926 0.77 HPRT1 (0.54) ACP3MTNR1ATDP1ALDH1A1CYP1A2
Nitric Acid SCHEMBL9873962 0.77 ALDH1A1 (0.63) TDP1ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL2312666 0.77 HPRT1 (0.54) ACP3MTNR1ATDP1ALDH1A1CYP1A2
SCHEMBL80656 0.76 MTNR1A (0.50) ACP3MTNR1ATDP1ALDH1A1NQO2
SCHEMBL31131331 0.76 MTNR1A (0.50) ACP3MTNR1ATDP1ALDH1A1NQO2
Tetrahydrofuran SCHEMBL971564 0.75 KCNA5 (0.46) ACP3MTNR1ATDP1CYP1A2CYP2C9
SCHEMBL8957420 0.75 NQO2 (0.46) ACP3MTNR1ATDP1ALDH1A1NQO2
SCHEMBL3047898 0.74 CYP1A2 (0.62) ACP3MTNR1ATDP1ALDH1A1NQO2

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-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US claimed
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed