SCHEMBL19061730

SCHEMBL19061730

FC(F)(F)c1ccccc1CSC1=NCN(Cc2cccnc2)CN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ PIEZO1 Q92508 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL19061593 0.86 ALDH1A1 (0.46) KDM4EALDH1A1POLBMAPK1TDP1
SCHEMBL19061731 0.86 POLB (0.40) KDM4EALDH1A1POLBMAPK1TDP1
SCHEMBL19061452 0.84 PKM (0.48) POLBMAPK1CHRNB2CHRNA4HSD17B10
SCHEMBL19061884 0.84 KMT2A (0.49) KDM4EALDH1A1POLBMAPK1CHRNB2
SCHEMBL19019922 0.84 MAPK1 (0.50) KDM4EALDH1A1POLBMAPK1TDP1
SCHEMBL19019919 0.83 HIF1A (0.47) KDM4EPOLBMAPK1CHRNB2CHRNA4
SCHEMBL19061889 0.82 PKM (0.46) KDM4EALDH1A1ATMPOLBMAPK1
SCHEMBL19062036 0.82 POLB (0.44) KDM4EPOLBMAPK1CHRNB2CHRNA4
SCHEMBL19061599 0.82 KDM4E (0.53) KDM4EALDH1A1POLBHSD17B10PKM
SCHEMBL19019870 0.80 CHRNB2 (0.43) KDM4EALDH1A1POLBMAPK1TDP1

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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