SCHEMBL3249923

SCHEMBL3249923

CC(C)(C)N(Cc1nc2cnccc2s1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
MYC P01106 3/20 0.36
CYP2A6 P11509 1/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.33
SLC13A5 Q86YT5 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
SCHEMBL27140406 0.74 DAGLA (0.40) GBA1GAAKMT2AMEN1HTT
SCHEMBL20567938 0.72 MEN1 (0.39) KMT2AMEN1HTTKDM4E
SCHEMBL28628837 0.72 ALDH1A1 (0.39) KMT2AMEN1POLBHTTKDM4E
SCHEMBL5113646 0.72 ERCC5 (0.43) HDAC6
SCHEMBL3242666 0.71 HPGD (0.44) MYCHPGDKMT2AMEN1POLB
SCHEMBL17371937 0.71 MEN1 (0.50) KMT2AMEN1POLBCYP2C9SMN1; SMN2
SCHEMBL2175726 0.71 HDAC6 (0.45) CYP2A6HPGDKMT2AMEN1POLB
SCHEMBL9146212 0.71 NPC1 (0.55) GBA1CYP2A6GAAKMT2AMEN1
SCHEMBL24964516 0.70 DYRK1A (0.47) HPGDHDAC6CYP2C9HTT
SCHEMBL30661687 0.70 DYRK1A (0.47) HPGDHDAC6CYP2C9HTT

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
WO-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 WO disclosed