SCHEMBL30258459

SCHEMBL30258459

COC(=O)c1cc(N)ccc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.49
CASP1 P29466 3/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 2/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
CFTR P13569 2/20 0.48
ABL1 P00519 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX5 P09917 1/20 0.45
MAPK1 P28482 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 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
SCHEMBL1321845 1.00 GAA (0.62) GAAALDH1A1KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL6986276 0.98 GAA (0.61) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL132755 0.85 GAA (0.68) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1403643 0.84 GAA (0.72) GAAALDH1A1KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL27529005 0.83 GAA (0.66) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL27966618 0.83 CASP1 (0.44) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL27720317 0.83 CASP1 (0.44) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9705197 0.82 GAA (0.65) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6168887 0.82 GAA (0.66) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL7623605 0.82 GAA (0.70) GAAALDH1A1KDM4EHSD17B10MAPT

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
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
WO-2023059792-A1 CORONAVIRUS NON-STRUCTURAL PROTEIN 3 DEGRADING COMPOUNDS C4 THRAPEUTICS, INC. (US) 2023-04-13 WO disclosed