SCHEMBL30935308

SCHEMBL30935308

C=CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.43
EGFR P00533 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPKAPK2 P49137 2/20 0.42
GAA P10253 2/20 0.41
WDR5 P61964 4/20 0.40
SRPK1 Q96SB4 1/20 0.39
CTSC P53634 1/20 0.38

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
SCHEMBL16099962 1.00 UCHL3 (0.43) UCHL3EGFRSMN1; SMN2MAPKAPK2GAA
SCHEMBL16123380 0.81 MAPKAPK2 (0.43) UCHL3EGFRMAPKAPK2
SCHEMBL30934957 0.78 JAK3 (0.41) UCHL3EGFRCTSC
SCHEMBL27361372 0.78 UCHL3 (0.51) UCHL3EGFRSMN1; SMN2MAPKAPK2GAA
SCHEMBL16099915 0.78 HIF1A (0.45) EGFR
SCHEMBL30380201 0.78 HIF1A (0.45) EGFR
SCHEMBL16095969 0.77 EGFR (0.58) UCHL3EGFRSMN1; SMN2MAPKAPK2GAA
SCHEMBL30226989 0.77 CA1 (0.47) EGFR
SCHEMBL16095549 0.77 HIF1A (0.42) EGFR
SCHEMBL16123326 0.77 PDGFRB (0.42)

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-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed