SCHEMBL25465686

SCHEMBL25465686

COc1cccc2c(Nc3ccc([S@](=N)(=O)NC[C@@H](C)O)cc3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
GAK O14976 1/20 0.37
GAA P10253 2/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
HTT P42858 1/20 0.36
FBP1 P09467 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL25468836 0.88 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25465017 0.88 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL30666120 0.87 BRAF (0.36) ALDH1A1GAKGAAHTTFBP1
SCHEMBL26656440 0.87 BRAF (0.36) ALDH1A1GAKGAAHTTFBP1
SCHEMBL26864188 0.87 BRAF (0.36) ALDH1A1GAKGAAHTTFBP1
SCHEMBL26865331 0.87 BRAF (0.36) ALDH1A1GAKGAAHTTFBP1
SCHEMBL25468134 0.86 EGFR (0.47) GAKAURKAAURKB
SCHEMBL25468137 0.86 EGFR (0.47) GAKAURKAAURKB
SCHEMBL25465601 0.84 EGFR (0.54) GAKPDGFRA
SCHEMBL25464971 0.84 EGFR (0.54) GAKPDGFRA

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-2023086638-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-05-19 WO disclosed