SCHEMBL29070872

SCHEMBL29070872

CCOC(=O)C1CCc2c(sc(N)c2C#N)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
GAA P10253 8/20 0.62
HSD17B10 Q99714 5/20 0.62
KDM4E B2RXH2 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
RECQL P46063 1/20 0.62
MAPT P10636 6/20 0.57
LIMK1 P53667 1/20 0.54
ALOX15 P16050 5/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 4/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
PDK1 Q15118 1/20 0.47
BPTF Q12830 3/20 0.44
CASP1 P29466 1/20 0.43
CASP7 P55210 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
SCHEMBL5451294 0.81 ALDH1A1 (0.60) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL5451299 0.81 ALDH1A1 (0.60) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL5629040 0.81 MAPT (0.73) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL3498811 0.81 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL1207493 0.77 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL3496757 0.77 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL6376110 0.75 MAPT (0.53) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL24091680 0.75 ALDH1A1 (0.86) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL18135595 0.75 MAPT (0.74) ALDH1A1GAAHSD17B10KDM4EMEN1
SCHEMBL1208527 0.74 BPTF (0.50) ALDH1A1GAAHSD17B10KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed
EP-4200296-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (HK) 2023-06-28 EP disclosed
WO-2022038563-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (CN) 2022-02-24 WO disclosed