SCHEMBL4420731

SCHEMBL4420731

O=C(O)c1cc2ncsc2cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
KDM4E B2RXH2 2/20 0.58
HKDC1 Q2TB90 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
DAO P14920 2/20 0.46
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
GFER P55789 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCL1 Q07820 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL352444 0.87 NPC1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980270 0.87 NPC1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL29851968 0.85 NPC1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL28840648 0.85 NPC1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30251624 0.85 NPC1 (0.56) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980221 0.85 NPC1 (0.56) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980162 0.81 KDM4E (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL5068263 0.81 KDM4E (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30438266 0.81 KDM4E (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8980355 0.79 TSHR (0.49) NPC1RAB9AKDM4EHKDC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103519-A Reaction hydridization benzoxazine resins and application thereof 亨斯迈先进材料美国有限责任公司 2016-11-09 CN disclosed
EP-2108999-B1 Method for preparation of lithographic printing plate FUJIFILM CORP (JP) 2013-01-09 EP disclosed
EP-2108999-A1 Method for preparation of lithographic printing plate and lithographic printing plate precursor Fujifilm Corporation (JP) 2009-10-14 EP disclosed