SCHEMBL5374095

SCHEMBL5374095

COc1cc2[nH]cnc2cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.48
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MMP12 P39900 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
POLB P06746 5/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLQ O75417 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5374097 0.94 QPCT (0.48) QPCTKDM4EALDH1A1HPGDMMP12
SCHEMBL1975515 0.86 QPCT (0.50) QPCTKDM4EALDH1A1HPGDMMP12
SCHEMBL22533358 0.86 QPCT (0.50) QPCTKDM4EMMP12POLBMAPT
SCHEMBL30798715 0.84 QPCT (0.45) QPCTKDM4EALDH1A1MMP12POLB
SCHEMBL30798669 0.84 QPCT (0.48) QPCTKDM4EALDH1A1MMP12POLB
SCHEMBL687133 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDMMP12POLB
SCHEMBL4153461 0.81 SRC (0.47) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL30798586 0.80 QPCT (0.50) QPCTKDM4EALDH1A1HPGDMMP12
SCHEMBL953077 0.79 MMP12 (0.56) QPCTKDM4EALDH1A1MMP12POLB
SCHEMBL25727791 0.79 HDAC6 (0.44) KDM4EALDH1A1HPGDLCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN claimed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed