SCHEMBL27712149

SCHEMBL27712149

O=[SH](=O)Oc1ccc2ncsc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HKDC1 Q2TB90 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 5/20 0.43
PKM P14618 2/20 0.43
DYRK1A Q13627 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GFER P55789 1/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
DYRK2 Q92630 3/20 0.37
DYRK1B Q9Y463 3/20 0.37
CSNK2A2 P19784 2/20 0.37

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
SCHEMBL23133 0.77 NPC1 (0.57) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL7439801 0.76 NPC1 (0.47) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL8893274 0.76 NPC1 (0.47) NPC1RAB9AKDM4ETDP1L3MBTL1
Bromide SCHEMBL1193036 0.75 NPC1 (0.56) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL30675321 0.75 NPC1 (0.58) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL4160781 0.74 ALDH1A1 (0.60) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL2098094 0.73 NPC1 (0.53) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL16736489 0.73 NPC1 (0.53) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL30675320 0.73 NPC1 (0.53) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL14047157 0.73 NPC1 (0.51) NPC1RAB9AKDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101663365-B Dye-based black ink formulations and inkjet ink sets SHANGHAI HEWLETT PACKARD CO LTD 2012-09-05 CN claimed
CN-101878273-A Black inkjet inks with reduced brightness and haze HEWLETT PACKARD DEV CO LTD RENGASWAMY SUKANYA 2010-11-03 CN claimed
CN-101663364-A dye-based ink formulations HEWLETT PACKARD DEVELOPMENT CO 2010-03-03 CN claimed
CN-101663365-A Dye-based black ink formulations and inkjet ink sets HEWLETT PACKARD DEVELOPMENT CO 2010-03-03 CN claimed
CN-101878273-B Black inkjet inks with reduced brightness and haze HEWLETT PACKARD DEVELOPMENT CO 2013-07-17 CN disclosed
CN-101688076-B Ink-jet inks for neutral black printing HEWLETT PACKARD DEVELOPMENT CO 2012-09-26 CN disclosed
CN-101663365-B Dye-based black ink formulations and inkjet ink sets SHANGHAI HEWLETT PACKARD CO LTD 2012-09-05 CN disclosed
CN-101242833-B Pyrrolopyridine derivatives and use of same as PPAR receptor modulators FOURNIER LAB SA 2012-06-27 CN disclosed
CN-101878273-A Black inkjet inks with reduced brightness and haze HEWLETT PACKARD DEV CO LTD RENGASWAMY SUKANYA 2010-11-03 CN disclosed
CN-101688076-A Ink-jet inks for neutral black printing HEWLETT PACKARD DEVELOPMENT CO 2010-03-31 CN disclosed
CN-101663364-A dye-based ink formulations HEWLETT PACKARD DEVELOPMENT CO 2010-03-03 CN disclosed
CN-101663365-A Dye-based black ink formulations and inkjet ink sets HEWLETT PACKARD DEVELOPMENT CO 2010-03-03 CN disclosed
CN-101242833-A Pyrrolopyridine derivatives and use of same as PPAR receptor modulators FOURNIER LAB SA (FR) 2008-08-13 CN disclosed