SCHEMBL13728328

SCHEMBL13728328

COc1c(Cl)nc(Cl)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 2/20 0.50
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
DHPS P49366 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
IDO1 P14902 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
APEX1 P27695 1/20 0.36
PMP22 Q01453 1/20 0.36
MCL1 Q07820 1/20 0.36
METAP1 P53582 1/20 0.36
RAD52 P43351 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
SCHEMBL12335699 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL8352524 0.84 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL1536392 0.82 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL13730392 0.79 MAPK1 (0.33) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13728298 0.79 L3MBTL1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL13728967 0.79 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL2879866 0.76 POLB (0.68) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL3932873 0.76 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL52405 0.74 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL29366129 0.74 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1POLB

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
CN-103732613-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-11-30 CN disclosed
CN-103797024-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-06-01 CN disclosed
CN-103562199-B As the tripeptides mixing deuterium of hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 EP disclosed
CN-103797024-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-05-14 CN disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
CN-103732613-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-04-16 CN disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 EP disclosed
CN-103562199-A Tripeptides incorporating deuterium as inhibitors of hepatitis c virus BRISTOL MYERS SQUIBB CO 2014-02-05 CN disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed