SCHEMBL25211342

SCHEMBL25211342

[Cu].c1ccc(CNCc2ccccn2)nc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.68
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 3/20 0.58
L3MBTL1 Q9Y468 5/20 0.54
ALDH1A1 P00352 3/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SCN8A Q9UQD0 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HRH1 P35367 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL230222 0.98 CHRM2 (0.70) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL29438821 0.98 CHRM2 (0.70) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL18493706 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
Zinc Ion SCHEMBL30442739 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL317984 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
Zinc Ion SCHEMBL30205248 0.95 CHRM2 (0.68) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL9777455 0.89 CHRM2 (0.61) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL5569292 0.89 L3MBTL1 (0.62) CHRM2MAOAMAOBSMN1; SMN2KDM4E
Pyridine SCHEMBL4753513 0.89 CHRM2 (0.61) CHRM2MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL3314110 0.89 L3MBTL1 (0.62) CHRM2MAOAMAOBSMN1; SMN2KDM4E

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-2023100786-A1 METHOD FOR MEASURING SARCOSINE COMPOUND CONCENTRATION, AND TRANSISTOR-TYPE SENSOR FOR SARCOSINE COMPOUND DETECTION AND CONCENTRATION MEASUREMENT 栗田工業株式会社 2023-06-08 WO claimed
WO-2023100786-A1 METHOD FOR MEASURING SARCOSINE COMPOUND CONCENTRATION, AND TRANSISTOR-TYPE SENSOR FOR SARCOSINE COMPOUND DETECTION AND CONCENTRATION MEASUREMENT 栗田工業株式会社 2023-06-08 WO disclosed
WO-2023100786-A1 METHOD FOR MEASURING SARCOSINE COMPOUND CONCENTRATION, AND TRANSISTOR-TYPE SENSOR FOR SARCOSINE COMPOUND DETECTION AND CONCENTRATION MEASUREMENT 栗田工業株式会社 2023-06-08 WO disclosed
CN-109535029-A A kind of synthetic method of tetra- chlorobutyronitrile of 2,4,4,4- 湖南师范大学 2019-03-29 CN disclosed