SCHEMBL7804285

SCHEMBL7804285

O=C(O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.50
FNTB P49356 4/20 0.50
PGGT1B P53609 2/20 0.50
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 8/20 0.44
CYP11B2 P19099 8/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
TGM2 P21980 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DBH P09172 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7748921 0.99 FNTA (0.49) FNTAFNTBPGGT1BCYP19A1CYP11B1
SCHEMBL8865500 0.87 CYP19A1 (0.49) CYP19A1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL7749564 0.85 CYP11B1 (0.58) FNTAFNTBPGGT1BCYP19A1CYP11B1
SCHEMBL8170527 0.85 CYP11B1 (0.58) FNTAFNTBPGGT1BCYP19A1CYP11B1
SCHEMBL2789150 0.82 CYP11B1 (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8865733 0.81 CYP11B1 (0.62) CYP11B1CYP11B2PTGDR2
Hydrochloric Acid SCHEMBL8763109 0.80 CYP11B1 (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL3821317 0.78 CYP11B1 (0.73) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8248670 0.78 ACE2 (0.70) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL1690916 0.78 ACE2 (0.70) FNTAFNTBPGGT1BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891352-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-5869682-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-02-09 US disclosed
EP-0891352-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036891-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERK & CO., INC. (US) 1997-10-09 WO disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
US-5627202-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-06 US disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 WO disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed