SCHEMBL4453327

SCHEMBL4453327

COC(=O)C(CCSC(C)=O)Nc1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
CTSS P25774 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4453330 1.00 ELANE (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4461483 0.91 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4456597 0.91 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4453282 0.89 NPC1 (0.43) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4457207 0.87 ELANE (0.52) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4459938 0.86 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL13606504 0.86 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4459935 0.86 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4458412 0.85 CTSL (0.44) ELANECTSS
SCHEMBL4458411 0.85 CTSL (0.44) 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 2 patents. 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 claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed