SCHEMBL6046313

SCHEMBL6046313

OCCc1ccc2nc(S)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.39
BACE1 P56817 1/20 0.39
CASP3 P42574 7/20 0.38
SENP8 Q96LD8 7/20 0.38
SENP7 Q9BQF6 7/20 0.38
SENP6 Q9GZR1 7/20 0.38
ILK Q13418 2/20 0.36
PCSK9 Q8NBP7 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPC P11150 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8975913 0.86 APP (0.52) RAB9ANPC1SMN1; SMN2APPMAPT
SCHEMBL14557082 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2APPMAPT
SCHEMBL9016291 0.83 RAB9A (0.49) RAB9ANPC1SMN1; SMN2APPMAPT
SCHEMBL10383951 0.81 CASP3 (0.49) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL20613119 0.80 HSD17B10 (0.57) RAB9ANPC1SMN1; SMN2APPMAPT
SCHEMBL9722768 0.80 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL917810 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2APPMAPT
SCHEMBL14859131 0.78 CASP3 (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL10383965 0.78 CASP3 (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL14160725 0.75 RAB9A (0.44) RAB9ANPC1SMN1; SMN2APPMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO claimed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US claimed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US disclosed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO disclosed