SCHEMBL19061954

SCHEMBL19061954

Fc1cc(F)cc(CSC2=NCN(Cc3cccnc3)CN2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP17A1 P05093 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19061459 0.92 RAB9A (0.46) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19019870 0.90 CHRNB2 (0.43) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19019922 0.87 MAPK1 (0.50) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19062037 0.87 METAP2 (0.43) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19062035 0.85 HSD17B10 (0.40) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19061876 0.84 GFER (0.47) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19062008 0.83 CHRNB2 (0.48) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19061593 0.83 ALDH1A1 (0.46) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19019917 0.83 TDP1 (0.46) HSD17B10CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19061887 0.83 L3MBTL1 (0.51) HSD17B10CHRNB2CHRNA4KMT2AMEN1

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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