SCHEMBL7993232

SCHEMBL7993232

COC(=O)c1cccc(Oc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.63
POLB P06746 1/20 0.63
KDM4E B2RXH2 1/20 0.58
MAOB P27338 1/20 0.54
MAPT P10636 5/20 0.54
CYP2C19 P33261 2/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ELANE P08246 1/20 0.54
PYGL P06737 1/20 0.53
FFAR1 O14842 1/20 0.53
CYP2C9 P11712 1/20 0.53
NPC1 O15118 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AHR P35869 1/20 0.51

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
SCHEMBL31504019 0.90 KDM4E (0.72) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL31103641 0.88 MEN1 (0.76) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1572442 0.88 MEN1 (0.76) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL27858189 0.86 MEN1 (0.74) MEN1KMT2AALDH1A1POLBMAPT
Methane SCHEMBL28043489 0.86 MEN1 (0.74) MEN1KMT2AALDH1A1POLBMAPT
Fluoride SCHEMBL28307367 0.86 MEN1 (0.74) MEN1KMT2AALDH1A1POLBMAPT
Ammonia Solution, Strong SCHEMBL27704150 0.86 MEN1 (0.74) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL31504028 0.85 MEN1 (0.62) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL2436534 0.84 L3MBTL1 (0.65) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL3506913 0.84 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBKDM4E

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-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0841919-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-24 EP disclosed
EP-0841919-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-05-20 EP disclosed
US-5710171-A ANTICANCER AND ANTITUMOR AGENTS MERCK & CO., INC. (US) 1998-01-20 US disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed