SCHEMBL29954564

SCHEMBL29954564

COc1ncc(-c2ccccc2)cc1B(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
CASP1 P29466 1/20 0.61
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
AURKA O14965 1/20 0.44
TTK P33981 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
FYN P06241 2/20 0.42
KMT2A Q03164 1/20 0.41
AXL P30530 1/20 0.40
ENPP2 Q13822 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MGLL Q99685 2/20 0.38
PIK3CG P48736 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
SCHEMBL14478704 0.77 MAPT (0.67) MAPTCASP1PDGFRBPDGFRAAURKA
SCHEMBL14479730 0.77 MAPT (0.67) MAPTCASP1PDGFRBPDGFRAAURKA
SCHEMBL27892862 0.76 MAPT (0.65) MAPTCASP1PDGFRBPDGFRAAURKA
SCHEMBL29954554 0.76 ALDH1A1 (0.51) MAPTCASP1PDGFRBPDGFRAKMT2A
SCHEMBL5782653 0.75 MAPT (0.59) MAPTCASP1PDGFRBPDGFRAAURKA
SCHEMBL14931747 0.75 MAPT (0.59) MAPTCASP1PDGFRBPDGFRAAURKA
SCHEMBL12427762 0.75 MAPT (0.59) MAPTCASP1PDGFRBPDGFRAAURKA
SCHEMBL2432812 0.73 MAPT (0.61) MAPTCASP1PDGFRBPDGFRAFYN
SCHEMBL4876885 0.73 AXL (0.59) MAPTCASP1PDGFRBPDGFRAKMT2A
SCHEMBL1542626 0.73 SLC13A5 (0.38) MAPTCASP1AURKATTKAURKB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed