Nitric Acid

Nitric Acid

SCHEMBL6867244

O=[N+]([O-])O.O=c1cc(-c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2n1-c1ccccc1

nearest known ligand 0.59

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
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59
CYP19A1 P11511 12/20 0.48
CNR1 P21554 4/20 0.45
CYP17A1 P05093 2/20 0.43
CYP3A4 P08684 3/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
TP53 P04637 1/20 0.42
PGR P06401 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL6867606 0.82 FNTA (0.67) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL6869798 0.80 FNTA (0.61) FNTAFNTBCYP19A1CNR1CYP17A1
Nitric Acid SCHEMBL6873528 0.79 FNTA (0.58) FNTAFNTBCYP19A1CNR1CYP17A1
Nitric Acid SCHEMBL6873533 0.79 FNTA (0.58) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL6868055 0.75 FNTA (0.63) FNTAFNTBCYP19A1CNR1CYP3A4
Nitric Acid SCHEMBL9523951 0.74 CYP19A1 (0.53) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL6303535 0.74 FNTA (1.00) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL6310693 0.73 FNTA (0.67) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL6869878 0.73 FNTA (0.50) FNTAFNTBCYP19A1CNR1CYP17A1
Oxalic Acid SCHEMBL7701815 0.70 FNTA (0.49) FNTAFNTBCYP19A1CNR1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed