SCHEMBL29074243

SCHEMBL29074243

CC(C)(C)OC(=O)NNc1ccccc1NN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTT P42858 1/20 0.38
HDAC1 Q13547 1/20 0.37
MIF P14174 1/20 0.37
AKT1 P31749 2/20 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
SCHEMBL1586390 0.84 GAA (0.51) GAARAB9AMEN1NPC1KMT2A
SCHEMBL16774987 0.82 GAA (0.52) GAARAB9AMEN1NPC1KMT2A
SCHEMBL6852142 0.82 GAA (0.61) GAARAB9AMEN1NPC1KMT2A
SCHEMBL29074240 0.81 POLB (0.50) GAARAB9AMEN1NPC1KMT2A
SCHEMBL4371076 0.81 NPC1 (0.51) GAARAB9AMEN1NPC1KMT2A
SCHEMBL31738259 0.81 GAA (0.51) GAARAB9AMEN1NPC1KMT2A
SCHEMBL4365913 0.81 GAA (0.53) GAARAB9AMEN1NPC1KMT2A
SCHEMBL1690938 0.79 KMT2A (0.54) GAARAB9AMEN1NPC1KMT2A
SCHEMBL30173444 0.79 KMT2A (0.54) GAARAB9AMEN1NPC1KMT2A
SCHEMBL13804211 0.79 MEN1 (0.50) GAARAB9AMEN1NPC1KMT2A

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
CN-116751240-A Preparation and application of 2' -deoxy-2 ',2' -difluoro cytidine carbonate hydrazide 杭州爱科瑞思生物医药有限公司 2023-09-15 CN disclosed