SCHEMBL7749570

SCHEMBL7749570

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.50
CPB2 Q96IY4 6/20 0.47
CPB1 P15086 2/20 0.45
MAPT P10636 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL7804288 0.85 CPA1 (0.69) CPA1CPB2CPB1MAPT
Hydrochloric Acid SCHEMBL7748924 0.84 CPA1 (0.67) CPA1CPB2CPB1MAPT
SCHEMBL8764039 0.83 CPA1 (0.72) CPA1CPB2CPB1ESR1ESR2
SCHEMBL8865811 0.83 CPA1 (0.57) CPA1CPB2CPB1ESR1ESR2
SCHEMBL7086614 0.80 CPA1 (0.51) CPA1CPB2CPB1ESR1ESR2
SCHEMBL8344063 0.77 ESR1 (0.41) MAPTESR1ESR2
SCHEMBL2234342 0.74 PTPRB (0.52) MAPT
SCHEMBL5019060 0.73 KMT2A (0.52) MAPT
SCHEMBL22338893 0.73 KMT2A (0.52) MAPT
SCHEMBL6823644 0.73 KMT2A (0.49) MAPT

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 21 patents — showing the first 20. 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
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 WO 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
EP-0837875-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1998-10-07 EP disclosed
EP-0837875-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-29 EP disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 WO disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036891-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERK & CO., INC. (US) 1997-10-09 WO disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US 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-1996034010-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-31 WO disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed