SCHEMBL17865942

SCHEMBL17865942

O=S(=O)(O)NC[C@@H]1C[C@@H](n2ccc3c(NCc4ccc5c(c4)OCO5)ncnc32)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE5A O76074 10/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPSR1 Q6W5P4 2/20 0.45
EGFR P00533 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAE1 Q13564 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL192776 0.87 NAE1 (0.57) KDM4EMAPTMAPK1L3MBTL1PDE5A
SCHEMBL17865975 0.86 NAE1 (0.45) MEN1KMT2AAURKARPS6KB1NAE1
SCHEMBL17865944 0.85 PDE5A (0.49) KDM4EMAPTMAPK1L3MBTL1PDE5A
SCHEMBL17865957 0.85 NAE1 (0.46) KDM4EMAPTMAPK1ALDH1A1TSHR
SCHEMBL17865955 0.85 NAE1 (0.51) KDM4EMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL17865920 0.84 METTL3 (0.55) MAPTMAPK1NAE1CA2GRK5
SCHEMBL17866025 0.84 KDM4E (0.53) KDM4EMAPTMAPK1L3MBTL1PDE5A
SCHEMBL17865916 0.81 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865925 0.80 NAE1 (0.44) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865972 0.80 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed