SCHEMBL19019907

SCHEMBL19019907

O=C(O)c1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ EPAS1 Q99814 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 2/20 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
SCHEMBL19019922 0.89 MAPK1 (0.50) KMT2AMAPK1GAAPOLBKDM4E
SCHEMBL19061881 0.88 TP53 (0.47) LMNAMAPK1HPGDPOLBALDH1A1
SCHEMBL19061883 0.85 MEN1 (0.48) LMNAKMT2AMAPK1GAAHPGD
SCHEMBL19019870 0.85 CHRNB2 (0.43) LMNAKMT2AMAPK1HPGDPOLB
SCHEMBL19019834 0.85 PLA2G7 (0.47) KMT2AMAPK1POLBALDH1A1MEN1
SCHEMBL14286352 0.85 OPRK1 (0.48) LMNAKMT2AMAPK1POLBMEN1
SCHEMBL19019883 0.83 LMNA (0.45) LMNAKMT2AHDAC3HDAC4HDAC1
SCHEMBL19019921 0.82 PKM (0.48) LMNAKMT2APOLBKDM4EALDH1A1
SCHEMBL19061740 0.82 NPC1 (0.46) LMNAKMT2AMAPK1POLBALDH1A1
SCHEMBL19019919 0.82 HIF1A (0.47) KMT2AMAPK1HIF1AEPAS1POLB

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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