SCHEMBL5169942

SCHEMBL5169942

NP(=O)(Nc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.42
PTGS2 P35354 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 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
SCHEMBL28253909 0.80 KDM4E (0.50) KDM4ENPSR1LMNAHPGDCA12
SCHEMBL239971 0.80 KDM4E (0.50) KDM4ENPSR1LMNAHPGDCA12
SCHEMBL16868500 0.78 KCNA5 (0.59) KDM4ENPSR1LMNAHPGDMEN1
Hydrochloric Acid SCHEMBL11409053 0.78 KDM4E (0.48) KDM4ENPSR1LMNAHPGDMEN1
SCHEMBL13043277 0.78 KDM4E (0.48) KDM4ENPSR1LMNAHPGDMEN1
Hydrochloric Acid SCHEMBL29269084 0.78 KDM4E (0.48) KDM4ENPSR1LMNAHPGDMEN1
SCHEMBL7533388 0.76 KCNA5 (0.58) KDM4ENPSR1LMNAHPGDMEN1
SCHEMBL730299 0.76 CA9 (0.48) KDM4ENPSR1LMNAHPGDCA12
Hydrochloric Acid SCHEMBL28020743 0.76 KCNA5 (0.58) KDM4ENPSR1LMNAHPGDMEN1
SCHEMBL3076601 0.74 KDM4E (0.50) KDM4ENPSR1LMNAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946183-B1 USE OF PYRIDAZINONE OR PHOSPHINE OXIDE COMPOUNDS TO TREAT OR PREVENT CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2007-05-02 EP claimed
EP-0946183-A4 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2001-07-18 EP claimed
JP-2001503413-A 2001-03-13 JP claimed
EP-0946183-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA Merck & Co., Inc. (US) 1999-10-06 EP claimed
US-5935945-A ADMINISTERING PHOSPHINE OXIDE COMPOUND WHICH BLOCKS RAPIDLY ACTIVATING DELAYED RECTIFIER POTASSIUM ION CURRENT OF THE ATRIUM MERCK & CO., INC. (US) 1999-08-10 US claimed
WO-1998018476-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1998-05-07 WO claimed
EP-0946183-B1 USE OF PYRIDAZINONE OR PHOSPHINE OXIDE COMPOUNDS TO TREAT OR PREVENT CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2007-05-02 EP disclosed
EP-0946183-A4 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2001-07-18 EP disclosed
US-6214809-B1 ANTIARRTHYMIA AGENTS MERCK & CO., INC. 2001-04-10 US disclosed
EP-0946183-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA Merck & Co., Inc. (US) 1999-10-06 EP disclosed
US-5935945-A ADMINISTERING PHOSPHINE OXIDE COMPOUND WHICH BLOCKS RAPIDLY ACTIVATING DELAYED RECTIFIER POTASSIUM ION CURRENT OF THE ATRIUM MERCK & CO., INC. (US) 1999-08-10 US disclosed
WO-1998018476-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1998-05-07 WO disclosed