SCHEMBL7749564

SCHEMBL7749564

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.58
CYP11B2 P19099 9/20 0.58
FNTA P49354 5/20 0.51
FNTB P49356 5/20 0.51
PGGT1B P53609 2/20 0.51
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 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
SCHEMBL3821317 0.88 CYP11B1 (0.73) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7804285 0.85 FNTA (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7748921 0.84 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8865804 0.82 CYP11B1 (0.62) CYP11B1CYP11B2
SCHEMBL2789863 0.82 CYP11B1 (0.76) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8170527 0.81 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086608 0.80 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7848245 0.76 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL521069 0.76 MAPT (0.57) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL4834706 0.75 CYP19A1 (0.56) CYP11B1CYP11B2ALDH1A1RAB9ASMN1; SMN2

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