SCHEMBL4458423

SCHEMBL4458423

O=C(O)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.46
MAPT P10636 7/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL4458415 1.00 ELOVL1 (0.46) ELOVL1MAPTGAAMEN1KMT2A
SCHEMBL4468259 0.82 ELOVL1 (0.47) ELOVL1MAPTGAAMEN1KMT2A
SCHEMBL4457435 0.80 CSNK1D (0.46) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4457438 0.80 CSNK1D (0.46) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4455136 0.80 HDAC3 (0.56) ELOVL1MAPTGAAMEN1KMT2A
SCHEMBL4455141 0.80 HDAC3 (0.56) ELOVL1MAPTGAAMEN1KMT2A
SCHEMBL4456589 0.80 MEN1 (0.43) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4456592 0.80 MEN1 (0.43) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4465417 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4465412 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E

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-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed