SCHEMBL689805

SCHEMBL689805

CN(C)C(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
AOC3 Q16853 6/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL12067933 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHTR2AHRH1TDP1
SCHEMBL11778053 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHTR2AHRH1TDP1
SCHEMBL1936243 0.79 CYP2D6 (0.43) ALDH1A1KDM4ETDP1CYP2D6LMNA
SCHEMBL27758907 0.79 HTR2A (0.41) ALDH1A1HTR2AHRH1TDP1CYP2D6
SCHEMBL27727123 0.78 ESR1 (0.43) ALDH1A1KDM4ETDP1CYP2D6LMNA
SCHEMBL9276858 0.78 ADRB2 (0.40) TDP1LMNAMAPTAOC3
SCHEMBL7743421 0.78 AOC3 (0.39) ALDH1A1KMT2AAOC3
SCHEMBL290984 0.77 LMNA (0.46) ALDH1A1KDM4EHTR2AHRH1TDP1
SCHEMBL903868 0.77 HTR2A (0.42) ALDH1A1HTR2AHRH1TDP1CYP2D6
SCHEMBL3344466 0.77 HTR2A (0.42) ALDH1A1HTR2AHRH1TDP1CYP2D6

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104072486-B As the connection-1H-benzoglyoxaline of hepatitis C virus inhibitors SQUIBB BRISTOL MYERS CO. (US) 2016-04-06 CN claimed
CN-102448956-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-05-06 CN claimed
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN claimed
CN-101528232-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-12 CN claimed
CN-102712628-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-15 CN claimed
CN-104072486-A BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO 2014-10-01 CN claimed
CN-102177141-B bis-1H-benzimidazoles as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO 2014-07-23 CN claimed
CN-102712623-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-04-02 CN claimed
CN-102007122-B Imidazolyl biphenyl imidazoles as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-09-04 CN claimed
CN-102712623-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-10-03 CN claimed
CN-102712628-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-10-03 CN claimed
CN-102448956-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-05-09 CN claimed
CN-102177141-A bis-1H-benzimidazoles as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO 2011-09-07 CN claimed
CN-102007122-A Imidazolyl biphenyl imidazoles as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-04-06 CN claimed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN claimed
CN-101528232-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-09 CN claimed
EP-2049522-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
CN-104447707-B Hepatitis c virus inhibitors 百时美施贵宝公司 2017-04-12 CN disclosed
WO-2007124345-A2 BETA-AMYLOID PET IMAGING AGENTS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2007-11-01 WO disclosed