SCHEMBL20155594

SCHEMBL20155594

CSCCC(NC(=O)Cn1c(=O)nc2n(C[C@@H](O)C[C@@H](O)CO)c3cc(C)c(C)cc3nc-2c1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ USP2 O75604 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ BRCA1 P38398 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TST Q16762 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ HAT1 O14929 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL21743494 0.89 MEN1 (0.51) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL20155596 0.83 KDM4E (0.46) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL20155597 0.78 GSR (0.48) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL27460346 0.71 MEN1 (0.63) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL21743935 0.71 MEN1 (0.63) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL24201806 0.68 MEN1 (0.74) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL20155598 0.68 MEN1 (0.74) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL19424100 0.68 MEN1 (0.74) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL30935958 0.66 MEN1 (0.67) KDM4EUSP2MAPK1MEN1CASP1
SCHEMBL14176774 0.63 GSR (0.51) KDM4EUSP2MEN1KMT2AALDH1A1

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
WO-2018087413-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2018-05-17 — — WO disclosed
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