SCHEMBL28978705

SCHEMBL28978705

COc1cc(/C=C2\SC(=O)N(Cc3cccc(O)c3)C2=O)cc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MCL1 Q07820 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ENPP2 Q13822 5/20 0.56
▸ PTPN1 P18031 5/20 0.54
▸ ACP1 P24666 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ DNMT1 P26358 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ DUSP3 P51452 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PSMD14 O00487 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PTPN2 P17706 3/20 0.52
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL28978708 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL29411679 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTMCL1
SCHEMBL26709452 0.87 PTPN1 (0.56) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29411671 0.87 PTPN1 (0.56) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL28979085 0.80 PTPN1 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29411687 0.80 PTPN1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL26709485 0.80 PTPN1 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29411713 0.80 PTPN1 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL28978709 0.80 PTPN1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL26606778 0.80 PTPN1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1

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-115916762-A Compounds and methods for modulating 17 beta-hydroxysteroid dehydrogenase type 13 梅特雷亚生物科学股份有限公司 2023-04-04 — — CN disclosed
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