SCHEMBL4013374

SCHEMBL4013374

CCOC(=O)c1c(-c2ccccc2)csc1Nc1cccc(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 1/20 0.59
▸ LMNA P02545 8/20 0.56
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 6/20 0.55
▸ ALOX12 P18054 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ POLB P06746 3/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ PTPN1 P18031 2/20 0.53
▸ PTPRC P08575 1/20 0.53
▸ PTPRF P10586 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ PTPA Q15257 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51

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
SCHEMBL3934240 0.84 LMNA (0.67) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4010031 0.80 ALDH1A1 (0.57) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23599197 0.78 LMNA (0.74) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23580345 0.77 LMNA (0.73) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11634946 0.76 LMNA (0.74) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2897094 0.75 POLB (0.74) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21248147 0.75 POLB (0.51) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6311362 0.74 LMNA (0.71) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9396589 0.74 LMNA (0.79) GSTO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL27815398 0.73 CASP3 (0.56) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1

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-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 — — WO disclosed
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