SCHEMBL3631049

SCHEMBL3631049

Cc1cn(NS(C)(=O)=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
HTR6 P50406 1/20 0.44
FABP4 P15090 2/20 0.41
SCN2B O60939 3/20 0.40
SCN1B Q07699 3/20 0.40
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
SCN1A P35498 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NQO2 P16083 1/20 0.39
CA2 P00918 1/20 0.38
PER2 O15055 1/20 0.37
CRY1 Q16526 1/20 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
SCHEMBL3632244 0.74 SLC6A2 (0.56) SLC6A2HTR6FABP4HDAC1HDAC2
SCHEMBL8836040 0.74 SLC6A2 (0.51) SLC6A2HTR6FABP4HDAC1HDAC2
SCHEMBL11452265 0.74 SLC6A2 (0.51) SLC6A2HTR6FABP4HDAC1HDAC2
SCHEMBL2692814 0.73 HTR6 (0.59) SLC6A2HTR6FABP4KMT2AMEN1
SCHEMBL8836604 0.69 FABP4 (0.51) SLC6A2FABP4HDAC1HDAC2HDAC8
SCHEMBL3978255 0.69 SLC6A2 (0.50) SLC6A2HTR6HDAC1HDAC2HDAC8
SCHEMBL8835800 0.69 SLC6A2 (0.47) SLC6A2HTR6FABP4HDAC1HDAC2
SCHEMBL146530 0.69 GPR84 (0.57) KMT2AKDM4ENQO2ALDH1A1IMPDH2
SCHEMBL29473770 0.69 GPR84 (0.57) KMT2AKDM4ENQO2ALDH1A1IMPDH2
SCHEMBL3626398 0.68 HTT (0.51) SLC6A2HTR6KMT2AMEN1CA2

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
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed