SCHEMBL2193530

SCHEMBL2193530

O=C(O)c1ccccc1SCc1cccc(-n2ccc3c(-c4ccccc4)cccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
PTPRG P23470 1/20 0.46
RAB9A P51151 3/20 0.40
PRNP P04156 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CCR2 P41597 1/20 0.37
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
MCL1 Q07820 1/20 0.36
BAD Q92934 1/20 0.36
DHODH Q02127 1/20 0.36
TP53 P04637 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL2192050 0.85 ALDH1A1 (0.55) SETD7EHMT2RAB9AGAAKMT2A
SCHEMBL2192071 0.83 SETD7 (0.56) SETD7EHMT2KMT2AMEN1HTT
SCHEMBL2192654 0.81 SMN1; SMN2 (0.45) SETD7EHMT2RAB9AGAAKMT2A
SCHEMBL2191641 0.80 SETD7 (0.58) SETD7EHMT2GAAKMT2AMEN1
SCHEMBL2196465 0.79 SETD7 (0.51) SETD7EHMT2CCR2DHODHHTR6
SCHEMBL2192976 0.78 SETD7 (0.55) SETD7EHMT2CCR2L3MBTL1MCL1
SCHEMBL2193598 0.75 SETD7 (0.61) SETD7EHMT2GAAMCL1ALDH1A1
SCHEMBL2194262 0.75 SETD7 (0.48) SETD7EHMT2CCR2DHODHALDH1A1
SCHEMBL2192864 0.74 SETD7 (0.68) SETD7EHMT2POLBMAPT
SCHEMBL2196761 0.73 SETD7 (0.81) SETD7EHMT2RAB9AKMT2AMEN1

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-2011082098-A1 LYSINE AND ARGININE METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER THE ROCKEFELLER UNIVERSITY (US) 2011-07-07 WO disclosed