SCHEMBL3398684

SCHEMBL3398684

CCOC(=O)CN(C)c1c(C(=O)O)c(=O)n(CC(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SAE1 Q9UBE0 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
SCHEMBL1061190 0.93 KDM4E (0.53) KDM4EMEN1KMT2ARAB9ATDP1
SCHEMBL13708877 0.83 KDM4E (0.51) KDM4EMEN1KMT2ARAB9AL3MBTL1
SCHEMBL3402714 0.81 EDNRB (0.51) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL3398679 0.78 TOP2A (0.50) KDM4EMEN1KMT2ARAB9AL3MBTL1
SCHEMBL1060629 0.75 L3MBTL1 (0.67) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27854511 0.73 MAPK1 (0.46) KDM4EMEN1KMT2ARAB9AL3MBTL1
SCHEMBL1063193 0.73 FEN1 (0.51) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL1062407 0.72 SMN1; SMN2 (0.43) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL13838704 0.68 ALDH1A1 (0.62) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL557889 0.68 SMN1; SMN2 (0.55) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2

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
EP-2247588-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-11-10 — — EP disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO disclosed
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