SCHEMBL29664146

SCHEMBL29664146

COc1ccc(OC#N)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.63
IMPDH1 P20839 1/20 0.63
IDO1 P14902 1/20 0.53
EP300 Q09472 1/20 0.52
KAT8 Q9H7Z6 1/20 0.52
NQO1 P15559 1/20 0.47
MAPT P10636 3/20 0.44
PLK1 P53350 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HPGDS O60760 1/20 0.42
CDC25B P30305 2/20 0.41
SLC2A1 P11166 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL17042693 1.00 IMPDH2 (0.63) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL184490 0.89 IMPDH2 (0.47) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL29364244 0.89 IMPDH2 (0.47) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL29380721 0.82 IDO1 (0.73) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL419307 0.82 IDO1 (0.73) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL2405150 0.80 CA1 (0.62) IMPDH2IMPDH1MAPTCA12CA1
SCHEMBL3423696 0.80 IMPDH2 (0.38) IMPDH2IMPDH1MAPTCA1CA2
SCHEMBL29397402 0.80 IMPDH2 (0.38) IMPDH2IMPDH1MAPTCA1CA2
SCHEMBL7840651 0.79 IDO1 (0.53) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL11707895 0.78 IDO1 (0.52) IMPDH2IMPDH1IDO1EP300KAT8

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-2022124129-A1 RESIN COMPOSITION, PREPREG, RESIN SHEET, METAL FOIL-CLAD LAYERED BOARD, AND PRINTED WIRING BOARD 三菱瓦斯化学株式会社 2022-06-16 WO disclosed