SCHEMBL12516911

SCHEMBL12516911

CCNC(=O)c1cnccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 16/20 0.53
▸ KDM6B O15054 7/20 0.53
▸ USP2 O75604 1/20 0.49
▸ KDM4D Q6B0I6 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ KDM4A O75164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM5A P29375 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL13162018 0.81 SIRT3 (0.56) KDM4CKDM6BKMT2ATDP1L3MBTL1
SCHEMBL30138224 0.81 SIRT3 (0.56) KDM4CKDM6BKMT2ATDP1L3MBTL1
SCHEMBL17439049 0.81 KDM5A (0.48) KDM4CKDM6BKDM4EMEN1ALDH1A1
SCHEMBL894396 0.81 KDM4C (0.56) KDM4CKDM6BUSP2KDM4DKDM4E
SCHEMBL19439267 0.81 KDM4C (0.61) KDM4CKDM6BUSP2KDM4DKDM4E
SCHEMBL17438513 0.80 KDM5A (0.47) KDM4CKDM6BKDM4EMEN1ALDH1A1
SCHEMBL14917464 0.80 KDM4E (0.46) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL4673791 0.80 KDM4E (0.58) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL28257295 0.79 LMNA (0.44) KDM4CKDM6BKDM4EALDH1A1L3MBTL1
SCHEMBL7224946 0.79 KDM5A (0.43) KDM4CKDM6BKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884070-A PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS 葛兰素史克知识产权第二有限公司 2018-11-23 — — CN disclosed
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 — — WO disclosed
Send feedback