SCHEMBL7362981

SCHEMBL7362981

O=C(OCOC(=O)c1cccnc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
ALDH1A1 P00352 3/20 0.56
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 2/20 0.54
CRHBP P24387 1/20 0.52
HTT P42858 1/20 0.52
CRHR2 Q13324 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17087080 0.89 MAPT (0.70) MAPTALDH1A1RXFP1KMT2AMEN1
SCHEMBL6367905 0.85 ALOX5 (0.55) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8708987 0.85 MAPT (1.00) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL15547829 0.84 KMT2A (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8604756 0.81 MAPT (0.55) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL1126283 0.80 MAPT (0.60) MAPTALDH1A1RXFP1KMT2AMEN1
SCHEMBL8605626 0.80 MAPT (0.70) MAPTALDH1A1RXFP1KMT2AMEN1
SCHEMBL9539208 0.79 KMT2A (0.68) MAPTALDH1A1RXFP1KMT2AMEN1
SCHEMBL12736161 0.79 MAPT (0.72) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL15547794 0.78 KMT2A (0.52) MAPTALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 EP disclosed