SCHEMBL30607673

SCHEMBL30607673

NCc1ccccc1-n1ncc2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
AOC1 P19801 5/20 0.38
AOC3 Q16853 5/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NCF1 P14598 1/20 0.33
CYP2A6 P11509 1/20 0.33
SCN9A Q15858 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPT P10636 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
SCHEMBL30607708 0.73 NCOA3 (0.43) PDE10AMAPT
SCHEMBL30607539 0.70 AOC1 (0.37) AOC1AOC3LOXL2NCF1CYP2A6
SCHEMBL5971617 0.69 CYP11B1 (0.40) PDE10AMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL29833912 0.69 IRAK4 (0.53) PDE10AMKNK1MKNK2MAPT
SCHEMBL27845418 0.68 POLB (0.52) AOC1AOC3LOXL2ALDH1A1NCF1
SCHEMBL27845410 0.68 NPC1 (0.35) AOC1AOC3ALDH1A1NCF1SCN9A
SCHEMBL27837485 0.67 PDE10A (0.42) PDE10AMKNK2ALDH1A1CYP11B2MAPT
SCHEMBL27715111 0.66 CA12 (0.43) LOXL2NCF1
SCHEMBL15839178 0.65 CYP17A1 (0.45) PDE10AMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL27028753 0.65 MKNK2 (0.39) PDE10AMKNK1MKNK2ALDH1A1CYP11B1

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-2023186065-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-10-05 WO disclosed