SCHEMBL6834346

SCHEMBL6834346

CC(=O)c1ccc(Nc2ccccc2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.49
AKR1C2 P52895 5/20 0.49
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
GUSB P08236 1/20 0.48
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
PTPN6 P29350 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL8923358 0.80 NPC1 (0.58) AKR1C3AKR1C2NPC1MAPTRAB9A
SCHEMBL30463062 0.79 KMT2A (0.50) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL96065 0.79 KMT2A (0.50) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL17421184 0.78 KMT2A (0.56) AKR1C3AKR1C2NPC1MAPTGUSB
SCHEMBL11498271 0.78 AKR1C3 (0.53) AKR1C3AKR1C2NPC1MAPTGUSB
SCHEMBL10117832 0.77 MAPK13 (0.52) AKR1C3AKR1C2NPC1MAPTGUSB
SCHEMBL17077674 0.77 MAPK13 (0.71) AKR1C3AKR1C2NPC1MAPTGUSB
SCHEMBL17077807 0.77 MAPT (0.54) AKR1C3AKR1C2NPC1MAPTGUSB
SCHEMBL2559807 0.76 MEN1 (0.43) AKR1C3AKR1C2NPC1MAPTRAB9A
SCHEMBL6308388 0.75 NPC1 (0.53) NPC1MAPTRAB9ASMN1; SMN2KMT2A

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-2004113303-A1 INDAZOLE/PYRZOLO[4,3-c]PYRIDIN DERIVATIVES AS JNK INHIBITORS, COMPOSITIONS AND METHODS RELATED THERETO AS WELL AS INTERMEDIATE THEREOF ASTRAZENECA AB (SE) 2004-12-29 WO disclosed