SCHEMBL29953067

SCHEMBL29953067

CNC(=O)c1cc(B(O)O)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.42
TTR P02766 1/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PSMB8 P28062 2/20 0.37
PSMB5 P28074 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
GAA P10253 1/20 0.37
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
NFKB1 P19838 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 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
SCHEMBL248676 0.86 TTR (0.44) SMN1; SMN2ALDH1A1TTRKMT2AKDM4E
SCHEMBL29956390 0.82 POLB (0.54) ALDH1A1TTRKMT2AKDM4EMAPT
SCHEMBL29950679 0.82 HSD17B10 (0.47) ALDH1A1KMT2ALMNAMAPTPSMB8
SCHEMBL29952586 0.82 PSMB5 (0.44) SMN1; SMN2ALDH1A1PSMB8PSMB5HPGD
SCHEMBL18282327 0.82 HSD17B10 (0.47) ALDH1A1KMT2ALMNAMAPTPSMB8
SCHEMBL29953833 0.80 HSD17B10 (0.62) ALDH1A1KMT2AKDM4EMAPTRAB9A
SCHEMBL660617 0.79 MEN1 (0.50) SMN1; SMN2ALDH1A1TTRKMT2AKDM4E
SCHEMBL29712893 0.79 MEN1 (0.50) SMN1; SMN2ALDH1A1TTRKMT2AKDM4E
SCHEMBL29919280 0.79 GAA (0.53) ALDH1A1PSMB8PSMB5GAAPSMB11
SCHEMBL3326392 0.79 GAA (0.53) ALDH1A1PSMB8PSMB5GAAPSMB11

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