SCHEMBL17865952

SCHEMBL17865952

O[C@H]1[CH]C[C@@H](n2ccc3c(NCc4ccccc4)ncnc32)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 2/20 0.48
MAPK10 P53779 1/20 0.48
HTT P42858 3/20 0.46
LMNA P02545 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
METTL3 Q86U44 1/20 0.45
METTL14 Q9HCE5 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
EGFR P00533 1/20 0.44
MAPK1 P28482 1/20 0.43
SRC P12931 3/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 1/20 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
SCHEMBL17865954 0.81 ADK (0.46) KDM4EHSD17B10TSHRMAPK10HTT
SCHEMBL17865990 0.80 SLC29A1 (0.57) KDM4EHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL17865955 0.76 NAE1 (0.51) KDM4EHSD17B10TSHRMAPK10HTT
SCHEMBL22400280 0.76 NAE1 (0.61) EGFR
SCHEMBL17865956 0.76 NAE1 (0.43) KDM4EHSD17B10TSHRMAPK10HTT
SCHEMBL17875196 0.76 NAE1 (0.51) KDM4EHSD17B10TSHRMAPK10HTT
SCHEMBL18727734 0.75 ADK (0.48) ADKPRMT5
SCHEMBL16414565 0.75 PRMT5 (0.43) PRMT5
SCHEMBL27739697 0.75 PRMT5 (0.43) PRMT5
SCHEMBL192044 0.74 NAE1 (0.68)

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