SCHEMBL4558249

SCHEMBL4558249

Cc1csc(N[C@@H](CCS)C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
GAA P10253 3/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR2 O15552 1/20 0.40

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
SCHEMBL4455141 0.80 HDAC3 (0.56) GAARAB9ANPC1MAPTKMT2A
SCHEMBL4455136 0.80 HDAC3 (0.56) GAARAB9ANPC1MAPTKMT2A
SCHEMBL4455148 0.74 FDPS (0.46) FDPSRAB9ANPC1POLBSMN1; SMN2
SCHEMBL4455160 0.74 FDPS (0.46) FDPSRAB9ANPC1POLBSMN1; SMN2
SCHEMBL4459618 0.72 ALOX5 (0.54) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL4459625 0.72 ALOX5 (0.54) RAB9ANPC1MAPTPOLBKMT2A
SCHEMBL4456093 0.70 NPC1 (0.48) GAARAB9ANPC1MAPTPOLB
SCHEMBL4456090 0.70 NPC1 (0.48) GAARAB9ANPC1MAPTPOLB
SCHEMBL13606506 0.70 RAB9A (0.53) GAARAB9ANPC1MAPTKMT2A
SCHEMBL14706944 0.69 SMN1; SMN2 (0.61) RAB9ANPC1MAPTPOLBKMT2A

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