SCHEMBL28619926

SCHEMBL28619926

O=S(=O)(c1cccc2cccnc12)C1CC=CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
APOBEC3G Q9HC16 2/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
TSHR P16473 2/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8485302 0.72 MAPK1 (0.53) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL29402398 0.70 MAPT (0.47) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL5247202 0.69 L3MBTL1 (0.46) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL27592567 0.69 MAPK1 (0.70) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL7180056 0.69 MAPK1 (0.70) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL7127830 0.69 MAPK1 (0.42) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL863061 0.68 MAPK1 (0.68) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL50688 0.68 MAPK1 (1.00) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL51046 0.68 MAPK1 (0.68) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL2459763 0.68 MAPK1 (0.68) MAPK1CA1CA2CA9L3MBTL1

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-113226356-A Activating pyruvate kinase R 福马治疗股份有限公司 2021-08-06 CN disclosed