SCHEMBL28052887

SCHEMBL28052887

CCCCCCCCCCCCCCCCc1c(C)ccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.42
KCNH2 Q12809 5/20 0.39
TYMP P19971 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 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
SCHEMBL27672334 1.00 NOS2 (0.47) NOS2NOS3KCNH2TYMPTDP1
SCHEMBL28129531 0.93 NOS2 (0.50) NOS2NOS3TYMPTDP1L3MBTL1
SCHEMBL14569374 0.79 NOS2 (0.59) NOS2NOS3L3MBTL1RAB9ASMN1; SMN2
SCHEMBL21806238 0.79 NOS2 (0.77) NOS2NOS3KCNH2MAPTRAB9A
SCHEMBL19310672 0.77 TDP1 (0.35) NOS2NOS3KCNH2TDP1L3MBTL1
SCHEMBL10456083 0.77 TYR (0.44) KCNH2TDP1L3MBTL1NPC1MAPT
SCHEMBL28052894 0.77 TYR (0.44) KCNH2TDP1L3MBTL1NPC1MAPT
SCHEMBL4453790 0.77 TYMP (0.41) KCNH2TYMPNPC1MAPTSTAT3
SCHEMBL22791948 0.75 LIPG (0.40) KCNH2TDP1L3MBTL1NPC1MAPT
SCHEMBL20752742 0.75 NOS2 (0.44) NOS2NOS3SMN1; SMN2KDM4EALDH1A1

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
CN-105473715-A Modified amadoriase and method for producing same, surfactant resistance improver for amadoriase, and composition for measurement of HbA1c using same KIKKOMAN CORP 2016-04-06 CN claimed
CN-105473715-A Modified amadoriase and method for producing same, surfactant resistance improver for amadoriase, and composition for measurement of HbA1c using same KIKKOMAN CORP 2016-04-06 CN disclosed