SCHEMBL28674512

SCHEMBL28674512

CC[C@@H](N)C(=O)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GBA1 P04062 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 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
SCHEMBL28510750 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL28693501 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL27692485 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL9091962 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL8559895 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL10378708 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL16464668 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL12572597 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL9592709 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AGAAF2PRSS1
SCHEMBL8073747 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AGAAF2PRSS1

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-113924297-A N-1 branched alkyl substituted imidazo [4,5-c ] quinoline compounds, compositions, and methods 3M创新有限公司 2022-01-11 CN disclosed