SCHEMBL4456597

SCHEMBL4456597

COC(=O)C(CCSSCCC(Nc1nc2ccccc2o1)C(=O)OC)Nc1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
CTSS P25774 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PKM P14618 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4461483 1.00 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4457207 0.95 ELANE (0.52) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4453327 0.91 ELANE (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4453330 0.91 ELANE (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4459938 0.90 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4459935 0.90 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL13606504 0.90 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4466302 0.88 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4466308 0.88 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4463467 0.84 CTSL (0.46) ELANECTSS

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