SCHEMBL30798682

SCHEMBL30798682

COC(=O)Oc1cc2nc[nH]c2cc1OC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.46
MMP12 P39900 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 6/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HTT P42858 1/20 0.40
POLQ O75417 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL687134 0.81 KDM4E (0.44) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL4606421 0.78 MMP12 (0.47) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL953077 0.77 MMP12 (0.56) QPCTMMP12POLBKDM4EMAPT
SCHEMBL22533358 0.75 QPCT (0.50) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL7020232 0.73 KMT2A (0.45) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL5374095 0.73 QPCT (0.48) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL5374097 0.73 QPCT (0.48) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL30798676 0.73 HDAC6 (0.51) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL30798669 0.73 QPCT (0.48) QPCTMMP12KMT2ANPC1RAB9A
SCHEMBL1975515 0.72 QPCT (0.50) QPCTMMP12KMT2ANPC1RAB9A

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 1 patent. 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 disclosed