Nitric Acid

Nitric Acid

SCHEMBL9795307

CC(/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)n1cncn1.O=[N+]([O-])O

nearest known ligand 0.40

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
RAB9A P51151 2/20 0.40
ATM Q13315 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
CYP19A1 P11511 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.35
HSP90AA1 P07900 3/20 0.35
KMT2A Q03164 4/20 0.35
FBP1 P09467 2/20 0.34
MEN1 O00255 2/20 0.34
BRAF P15056 1/20 0.34
KDM4E B2RXH2 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 SCHEMBL9795315 1.00 RAB9A (0.40) RAB9AATMALDH1A1HTTCYP19A1
SCHEMBL9795469 0.79 CYP19A1 (0.47) CYP19A1SMN1; SMN2CYP3A4
SCHEMBL9795472 0.79 CYP19A1 (0.47) CYP19A1SMN1; SMN2CYP3A4
Nitric Acid SCHEMBL10583881 0.74 FBP1 (0.40) RAB9AATMALDH1A1HTTCYP19A1
Nitric Acid SCHEMBL10583883 0.74 FBP1 (0.40) RAB9AATMALDH1A1HTTCYP19A1
SCHEMBL6227295 0.70 CYP19A1 (0.51) RAB9AATMALDH1A1HTTCYP19A1
SCHEMBL10361474 0.70 HSP90AA1 (0.49) CYP19A1MAPTCYP3A4HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL9792757 0.69 HSP90AA1 (0.48) CYP19A1MAPTCYP3A4HSP90AA1KMT2A
SCHEMBL11563987 0.68 CYP19A1 (0.47) ALDH1A1HTTCYP19A1LMNAPOLB
SCHEMBL9367751 0.67 CYP19A1 (0.46) RAB9AATMALDH1A1HTTCYP19A1

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-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