SCHEMBL16627248

SCHEMBL16627248

CCCCNC(=O)[C@@H](NC(C)=O)C(C)(C)SSc1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX5 P09917 6/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.42
FBP1 P09467 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 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
SCHEMBL16625015 0.86 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL23700601 0.83 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL23700602 0.81 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL20373912 0.74 LMNA (0.46) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL10641101 0.73 ALOX5 (0.53) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10643744 0.72 ALOX5 (0.53) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10643877 0.71 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10641141 0.71 LMNA (0.50) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10358337 0.71 ALOX5 (0.51) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10644925 0.71 ALOX5 (0.51) NPC1RAB9ASMN1; SMN2ALOX5ALDH1A1

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
US-9453844-B2 Detection of protein S-sulfhydration via a tag-switch technique WASHINGTON STATE UNIVERSITY (US) 2016-09-27 US disclosed
US-20150099305-A1 DETECTION OF PROTEIN S-SULFHYDRATION VIA A TAG-SWITCH TECHNIQUE NATIONAL SCIENCE FOUNDATION 2015-04-09 US disclosed