SCHEMBL30935209

SCHEMBL30935209

C=CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCOC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.43
EGFR P00533 9/20 0.42
KDR P35968 1/20 0.42
DGAT1 O75907 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ITK Q08881 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
SCHEMBL16097051 1.00 HIF1A (0.43) HIF1AEGFRKDRDGAT1HTT
SCHEMBL17368525 0.89 HIF1A (0.46) HIF1AEGFRKDRDGAT1HTT
SCHEMBL16100893 0.88 EGFR (0.45) HIF1AEGFRKDRDGAT1MAPKAPK2
SCHEMBL30935135 0.88 EGFR (0.45) HIF1AEGFRKDRDGAT1MAPKAPK2
SCHEMBL16101030 0.87 HIF1A (0.43) HIF1ADGAT1KMT2AALDH1A1
SCHEMBL30380339 0.87 HIF1A (0.43) HIF1ADGAT1KMT2AALDH1A1
SCHEMBL16097189 0.86 HIF1A (0.43) HIF1AEGFRKDRDGAT1
SCHEMBL16123331 0.82 DGAT1 (0.41) HIF1AEGFRKDRDGAT1MAPKAPK2
SCHEMBL16101389 0.82 AAK1 (0.45) HIF1AEGFRKDRDGAT1ITK
SCHEMBL16101102 0.81 HIF1A (0.40) HIF1AEGFRKDRDGAT1MAPKAPK2

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