SCHEMBL4455232

SCHEMBL4455232

CC(C)(C)c1csc(NC(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KIF11 P52732 6/20 0.46
CCR4 P51679 2/20 0.45
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DNMT1 P26358 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL4455228 1.00 KMT2A (0.48) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4466264 0.77 KIF11 (0.45) NPC1RAB9AMAPK1ALDH1A1KIF11
SCHEMBL4466274 0.77 KIF11 (0.45) NPC1RAB9AMAPK1ALDH1A1KIF11
SCHEMBL4456093 0.77 NPC1 (0.48) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4456090 0.77 NPC1 (0.48) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4468277 0.76 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4458679 0.76 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4458423 0.73 ELOVL1 (0.46) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL4458415 0.73 ELOVL1 (0.46) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL5967574 0.73 KIF11 (0.54) KIF11DNMT1

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