SCHEMBL19061876

SCHEMBL19061876

COc1cc(CSC2=NCN(Cc3cccnc3)CN2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 4/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TRPV6 Q9H1D0 1/20 0.42
▸ PKM P14618 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 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
SCHEMBL19019864 0.93 GFER (0.53) GFERTSHRKDM4EHSD17B10MEN1
SCHEMBL19019921 0.91 PKM (0.48) GFERTSHRKDM4EHSD17B10MEN1
SCHEMBL19019922 0.84 MAPK1 (0.50) KDM4EHSD17B10MEN1KMT2ATRPV6
SCHEMBL19062034 0.84 GFER (0.44) GFERKDM4EHSD17B10MEN1KMT2A
SCHEMBL19061954 0.84 HSD17B10 (0.42) GFERKDM4EHSD17B10MEN1KMT2A
SCHEMBL19019915 0.84 TRPV6 (0.61) GFERKDM4EHSD17B10MEN1KMT2A
SCHEMBL19062036 0.83 POLB (0.44) GFERKDM4EHSD17B10MEN1KMT2A
SCHEMBL19061885 0.83 MEN1 (0.52) KDM4EHSD17B10MEN1KMT2ATRPV6
SCHEMBL19061883 0.83 MEN1 (0.48) GFERKDM4EHSD17B10MEN1KMT2A
SCHEMBL19061887 0.81 L3MBTL1 (0.51) TSHRHSD17B10MEN1KMT2APKM

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-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 — — EP disclosed
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