SCHEMBL21799337

SCHEMBL21799337

O=C(O)c1scnc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
PKM P14618 1/20 0.50
GPR35 Q9HC97 3/20 0.40
FFAR4 Q5NUL3 1/20 0.34
DAO P14920 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
EPHX2 P34913 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
CRACR2A Q9BSW2 1/20 0.32
HSD11B1 P28845 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL5011865 0.70 KDM4E (0.61) KDM4EPKMGPR35DAOHCAR2
SCHEMBL23354437 0.69 KDM4E (0.44) KDM4EPKMGPR35DAOHCAR2
SCHEMBL3105240 0.69 KDM4E (0.59) KDM4EPKMDAOL3MBTL1TDP1
SCHEMBL4295731 0.67
SCHEMBL21542782 0.67
SCHEMBL4594949 0.67
SCHEMBL192563 0.67
SCHEMBL3559718 0.67
SCHEMBL2860777 0.67 ABCC8 (0.42) KDM4EGPR35HCAR2L3MBTL1EPHX2
Hydrochloric Acid SCHEMBL8624744 0.65 KDM4E (0.96) KDM4EPKMGPR35DAOHCAR2

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-3277678-B1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO INC (US) 2020-03-18 EP disclosed