SCHEMBL22509751

SCHEMBL22509751

O=C1COc2cc3ccc(S)cc3nc2N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.39
MMP12 P39900 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
NR3C1 P04150 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNQ1 P51787 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL21089783 0.83 KCNH2 (0.40) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL22509843 0.83 MMP12 (0.54) NR3C2MMP12PARP1ALDH1A1MAPT
SCHEMBL22509833 0.81 CYP11B1 (0.45) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL22521450 0.80 NR3C2 (0.40) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL22521575 0.80 NR3C2 (0.40) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL22686147 0.76 NR3C2 (0.36) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL21400859 0.72 NR3C2 (0.47) NR3C2MMP12PARP1ALDH1A1MAPT
SCHEMBL22521449 0.71 TRPV1 (0.41) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL22509760 0.71 MMP12 (0.38) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL19629973 0.71 NR3C2 (0.42) NR3C2MMP12CYP11B1CYP11B2PARP1

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
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed