SCHEMBL28959632

SCHEMBL28959632

[c]1ccc2c3c(ccc2c1)-c1ccc(-c2ccccc2)cc1C31c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 19/20 0.41
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 1/20 0.32
PTBP1 P26599 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL26088871 0.82 LMNA (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL28893936 0.80 ESR2 (0.49) PDK2
SCHEMBL20543243 0.78 MEN1 (0.36) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL19797301 0.77 TDP2 (0.40) PDK2
SCHEMBL19822234 0.77 TDP2 (0.40) PDK2
SCHEMBL19151960 0.77 PDK2 (0.38) PDK2
SCHEMBL17008148 0.77 HSD17B1 (0.39) PDK2
SCHEMBL30019257 0.77 PDK2 (0.47) PDK2NPC1RAB9ASMN1; SMN2
SCHEMBL19797272 0.77 PDK2 (0.39) PDK2
SCHEMBL22522779 0.77 MEN1 (0.39) PDK2MEN1LMNAMAPTKMT2A

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-110249442-B Compound (I) 学校法人关西学院 2022-11-22 CN disclosed