SCHEMBL28320446

SCHEMBL28320446

COC(=O)c1ccc(-n2nc(-c3cc(Cl)cc(Cl)c3)cc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ RECQL P46063 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ CXCR5 P32302 1/20 0.42
▸ APLNR P35414 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
SCHEMBL2658747 0.81 MEN1 (0.57) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL26342419 0.74 SMN1; SMN2 (0.62) KMT2AMEN1RECQLPOLBL3MBTL1
SCHEMBL14918268 0.73 PTGS1 (0.63) KMT2AMEN1L3MBTL1PTGS1SMN1; SMN2
SCHEMBL14918967 0.73 RARG (0.47) KMT2AMEN1PTGS1ALDH1A1HTT
SCHEMBL28103577 0.73 CCNA2 (0.52) KMT2AMEN1RECQLPTGS1SMN1; SMN2
SCHEMBL28103551 0.73 CCNA2 (0.52) KMT2AMEN1RECQLPTGS1SMN1; SMN2
SCHEMBL28103553 0.73 CCNA2 (0.52) KMT2AMEN1RECQLPTGS1SMN1; SMN2
SCHEMBL12670655 0.73 ALDH1A1 (0.55) KMT2AMEN1POLBTDP1L3MBTL1
SCHEMBL5698596 0.72 ALDH1A1 (0.60) RECQLPOLBTDP1L3MBTL1PTGS1
SCHEMBL26342422 0.71 MEN1 (0.62) KMT2AMEN1RECQLPOLBTDP1

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-103933032-B The application method and purposes of pyrazole derivatives as anticancer drug 北京赛林泰医药技术有限公司 2019-08-23 — — CN disclosed
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