SCHEMBL17865956

SCHEMBL17865956

CN([C@H]1C[C@@H](n2ccc3c(NCc4ccccc4)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ GRK5 P34947 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ UBA6 A0AVT1 1/20 0.43
▸ NEDD8 Q15843 1/20 0.43
▸ UBA3 Q8TBC4 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ METTL3 Q86U44 1/20 0.42
▸ METTL14 Q9HCE5 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL17865958 0.92 TP53 (0.45) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865921 0.91 METTL3 (0.54) NAE1CA2GRK5CSNK1A1HTT
SCHEMBL17865976 0.88 CCNA2 (0.44) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL10004855 0.87 ADK (0.47) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17866004 0.87 AURKA (0.42) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865943 0.86 KDM4E (0.47) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865917 0.86 UBA6 (0.42) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865973 0.86 UBA6 (0.42) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865967 0.86 AURKA (0.42) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865944 0.86 PDE5A (0.49) KDM4EHSD17B10TSHRALDH1A1MEN1

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
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