SCHEMBL29958065

SCHEMBL29958065

COC(=O)c1nc2cc(B(O)O)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 1/20 0.43
ENPP2 Q13822 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
PTPN2 P17706 3/20 0.38
PTPN1 P18031 3/20 0.38
PTPN5 P54829 3/20 0.38
HSPD1 P10809 2/20 0.38
HSPE1 P61604 2/20 0.38
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
XDH P47989 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL29952347 0.90 MAPT (0.43) MAPTRAB9ASMN1; SMN2TP53ENPP2
SCHEMBL18114422 0.82 AGPAT2 (0.50) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL29974587 0.81 RAB9A (0.64) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL21612949 0.81 XDH (0.47) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL210184 0.81 RAB9A (0.64) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL10829024 0.81 MAPT (0.56) MAPTRAB9ASMN1; SMN2TP53NPSR1
SCHEMBL26654543 0.81 RAB9A (0.50) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL17161464 0.77 AGPAT2 (0.52) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL212819 0.76 RAB9A (0.60) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL21360027 0.74 MAPT (0.39) MAPTRAB9ASMN1; SMN2TP53NPSR1

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