SCHEMBL13830993

SCHEMBL13830993

CN(C(=O)C1(S)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL307624 0.78 KMT2A (0.42) KMT2APOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL307698 0.75 OPRK1 (0.47) KMT2APOLBKDM4EPKMFAAH
SCHEMBL29184152 0.75 PKM (0.43) KMT2APOLBKDM4EPKMMEN1
SCHEMBL9001838 0.74 PKM (0.45) KMT2APOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL10729640 0.73 POLB (0.45) KMT2APOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL30937191 0.73 KMT2A (0.41) KMT2APOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL2913174 0.71 RIPK1 (0.44) KMT2APOLBPKMMEN1ALDH1A1
SCHEMBL8848448 0.71 KMT2A (0.50) KMT2APOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL320116 0.71 POLB (0.59) KMT2APOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL17704773 0.71 KMT2A (0.53) KMT2APOLBKDM4ERAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 WO disclosed