SCHEMBL7819216

SCHEMBL7819216

COC(=O)c1ccccc1N(C)C(=O)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CFTR P13569 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
SLC6A3 Q01959 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9369081 0.98 KMT2A (0.54) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL13041521 0.86 KMT2A (0.56) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL2635516 0.84 KMT2A (0.55) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL29981090 0.84 KMT2A (0.55) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL7141656 0.83 KMT2A (0.54) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL6779193 0.82 TSHR (0.43) KMT2ALMNATSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7141659 0.82 KMT2A (0.52) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL13041484 0.82 KMT2A (0.52) KMT2ALMNATSHRALDH1A1HSD17B10
SCHEMBL21765674 0.81 ALDH1A1 (0.42) KMT2ATSHRALDH1A1KDM4EPOLB
SCHEMBL17702649 0.81 KMT2A (0.51) KMT2ALMNATSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652871-B1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-10-17 EP disclosed
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 EP disclosed
EP-0730455-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 1998-02-04 EP disclosed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US disclosed
US-5618812-A GASTRIN ANTAGONISTS; GASTROINTESTINAL DISORDERS MERCK SHARP & DOHME, LTD. (GB) 1997-04-08 US disclosed
US-5597818-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-28 US disclosed
US-5556969-A Benzodiazepine derivatives MERCK SHARP & DOHME LTD. (GB) 1996-09-17 US disclosed
EP-0730455-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5438055-A Antiarrhythmic benzodiazepines MERCK & CO., INC. (US) 1995-08-01 US disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014473-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
EP-0652871-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
WO-1994003437-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 EP disclosed