SCHEMBL19019864

SCHEMBL19019864

COc1cccc(CSC2=NCN(Cc3cccnc3)CN2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ TRPV6 Q9H1D0 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ DAO P14920 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CFTR P13569 1/20 0.41
▸ MEN1 O00255 1/20 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
SCHEMBL19061876 0.93 GFER (0.47) GFERKDM4ENPC1RAB9APKM
SCHEMBL19019921 0.90 PKM (0.48) GFERKDM4ENPC1RAB9APKM
SCHEMBL19019915 0.89 TRPV6 (0.61) GFERKDM4ENPC1PKMTRPV6
SCHEMBL19061885 0.86 MEN1 (0.52) KDM4EPKMTRPV6LMNAALDH1A1
SCHEMBL19062034 0.85 GFER (0.44) GFERKDM4ENPC1RAB9AMAPT
SCHEMBL19061594 0.85 CYP3A4 (0.47) GFERKDM4ENPC1RAB9APKM
SCHEMBL19061887 0.84 L3MBTL1 (0.51) RAB9APKMMAPTLMNADAO
SCHEMBL19019917 0.84 TDP1 (0.46) KDM4EPKMTRPV6POLBALDH1A1
SCHEMBL19061459 0.84 RAB9A (0.46) GFERKDM4ENPC1RAB9APKM
SCHEMBL19061951 0.84 NPC1 (0.46) GFERNPC1RAB9APOLBLMNA

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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