SCHEMBL7804288

SCHEMBL7804288

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)c1cnc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.69
CPB2 Q96IY4 14/20 0.60
CPB1 P15086 3/20 0.60
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.45

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 SCHEMBL7748924 0.99 CPA1 (0.67) CPA1CPB2CPB1MAPTCYP19A1
SCHEMBL7749570 0.85 CPA1 (0.50) CPA1CPB2CPB1MAPT
SCHEMBL8865742 0.81 CPA1 (0.76) CPA1CPB2CPB1CYP19A1
SCHEMBL27605640 0.79 MEN1 (0.44) CPA1MAPT
SCHEMBL7053727 0.78 CPA1 (0.71) CPA1CPB2CPB1CYP19A1
Hydrochloric Acid SCHEMBL8495732 0.77 CPA1 (0.69) CPA1CPB2CPB1CYP19A1
SCHEMBL6810226 0.74 KMT2A (0.52) CPA1MAPT
SCHEMBL6810144 0.74 KMT2A (0.52) CPA1MAPT
Hydrochloric Acid SCHEMBL8351982 0.73 KMT2A (0.39) CPA1CPB2
SCHEMBL8865506 0.73 CYP19A1 (0.47) CPA1CPB2CPB1MAPTCYP19A1

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 8 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