SCHEMBL19061731

SCHEMBL19061731

FC(F)(F)Oc1ccccc1CSC1=NCN(Cc2cccnc2)CN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ DRD2 P14416 6/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL19062036 0.87 POLB (0.44) POLBMAPK1CHRNB2CHRNA4DRD2
SCHEMBL19061730 0.86 KDM4E (0.41) POLBMAPK1CHRNB2CHRNA4HSD17B10
SCHEMBL19061892 0.85 MMP1 (0.43) MAPK1CHRNB2CHRNA4HSD17B10PKM
SCHEMBL19061593 0.85 ALDH1A1 (0.46) POLBMAPK1CHRNB2CHRNA4HSD17B10
SCHEMBL19061889 0.83 PKM (0.46) POLBMAPK1CHRNB2CHRNA4HSD17B10
SCHEMBL19061452 0.83 PKM (0.48) POLBMAPK1CHRNB2CHRNA4DRD2
SCHEMBL19061884 0.83 KMT2A (0.49) POLBMAPK1CHRNB2CHRNA4DRD2
SCHEMBL19019922 0.82 MAPK1 (0.50) POLBMAPK1CHRNB2CHRNA4HSD17B10
SCHEMBL19019870 0.80 CHRNB2 (0.43) POLBMAPK1CHRNB2CHRNA4HSD17B10
SCHEMBL19062035 0.80 HSD17B10 (0.40) POLBMAPK1CHRNB2CHRNA4HSD17B10

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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