SCHEMBL19019883

SCHEMBL19019883

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ POLB P06746 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ 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
▸ PDE6D O43924 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL19019901 0.92 HDAC2 (0.41) LMNAPOLBHDAC2HDAC8HDAC6
SCHEMBL19061881 0.83 TP53 (0.47) LMNASMN1; SMN2POLBHPGDGLA
SCHEMBL19019907 0.83 LMNA (0.41) LMNASMN1; SMN2POLBHPGDGLA
SCHEMBL19061883 0.79 MEN1 (0.48) LMNASMN1; SMN2POLBHPGDGLA
SCHEMBL19019922 0.78 MAPK1 (0.50) SMN1; SMN2POLBALDH1A1HTTMEN1
SCHEMBL19061740 0.78 NPC1 (0.46) LMNAPOLBALDH1A1HTTMEN1
SCHEMBL19019834 0.77 PLA2G7 (0.47) SMN1; SMN2POLBALDH1A1DRD4MEN1
SCHEMBL19019870 0.77 CHRNB2 (0.43) LMNASMN1; SMN2POLBHPGDRXFP1
SCHEMBL14286352 0.77 OPRK1 (0.48) LMNASMN1; SMN2POLBMEN1MAPT
SCHEMBL19061951 0.76 NPC1 (0.46) LMNASMN1; SMN2POLBALDH1A1MEN1

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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