Nitric Acid

Nitric Acid

SCHEMBL9795407

COc1ccc(C=C(c2ccc(C(F)(F)F)cn2)C(C)n2cncn2)cc1.O=[N+]([O-])O

nearest known ligand 0.37

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
CYP19A1 P11511 2/20 0.37
MAPT P10636 6/20 0.36
KMT2A Q03164 4/20 0.36
LIPE Q05469 1/20 0.34
CCR6 P51684 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SCN9A Q15858 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32

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 SCHEMBL9795438 0.93 KMT2A (0.34) CYP19A1MAPTKMT2AHTTALDH1A1
SCHEMBL9795384 0.75 KMT2A (0.47) MAPTKMT2ASCN9ALMNAPOLB
Nitric Acid SCHEMBL10587061 0.73 KMT2A (0.35) CYP19A1MAPTKMT2AALDH1A1RAB9A
Nitric Acid SCHEMBL9795315 0.68 RAB9A (0.40) CYP19A1MAPTKMT2AHTTALDH1A1
Nitric Acid SCHEMBL9795307 0.68 RAB9A (0.40) CYP19A1MAPTKMT2AHTTALDH1A1
Nitric Acid SCHEMBL10587065 0.67 FBP1 (0.37) KMT2ALMNAMEN1
SCHEMBL10361626 0.61 HSP90AA1 (0.49) CYP19A1MAPTKMT2AALDH1A1HPGD
SCHEMBL10412436 0.61 TRPA1 (0.33) CYP19A1MAPTKMT2ALMNAPOLB
Nitric Acid SCHEMBL10583760 0.61 MAPT (0.38) CYP19A1MAPTKMT2AHTTALDH1A1
SCHEMBL9362865 0.60 APP (0.43) LMNACYP3A4

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
US-5032607-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-16 US disclosed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US disclosed
EP-0299683-A2 Heterocyclic olefinic compounds and their use as aromatase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP disclosed