SCHEMBL1965703

SCHEMBL1965703

NC(=O)C(c1ccccc1)c1nnc(-c2ccc(C=O)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CSNK2B P67870 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DDX3X O00571 1/20 0.33
HDAC1 Q13547 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DRD1 P21728 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL2871480 0.72 HDAC6 (0.56) HDAC6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2873207 0.71 HDAC1 (0.50) CSNK2A2CSNK2A1HDAC6ALDH1A1MEN1
SCHEMBL1965022 0.70 BCAT2 (0.44) ALOX5CSNK2A2CSNK2A1CSNK2BNPC1
SCHEMBL1965024 0.68 CSNK2A2 (0.73) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL2871393 0.68 HDAC4 (0.48) CSNK2A2CSNK2A1HDAC6NPC1RAB9A
SCHEMBL25337640 0.67 GLS (0.56)
SCHEMBL4540176 0.66 HDAC1 (0.47) HDAC6NPC1RAB9AHDAC1
SCHEMBL2300347 0.66 S1PR1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL1965704 0.66 SMN1; SMN2 (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL741751 0.65 MEN1 (0.58) ALOX5HDAC6SMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed