SCHEMBL4466302

SCHEMBL4466302

COC(=O)C(CCS)Nc1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.53
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
CTSS P25774 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4466308 1.00 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4461483 0.88 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4456597 0.88 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4468163 0.86 NPC1 (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4464835 0.86 NPC1 (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4453327 0.84 ELANE (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4457207 0.84 ELANE (0.52) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4453330 0.84 ELANE (0.49) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL13606504 0.83 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4459938 0.83 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2TP53

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 claimed