SCHEMBL29956495

SCHEMBL29956495

OB(O)c1ccc(F)cc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
LIPE Q05469 1/20 0.33
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL29952656 0.87 HTT (0.36) ENPP2HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL15010805 0.87 HTT (0.36) ENPP2HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL29956725 0.85 ENPP2 (0.39) ENPP2KCNH2KMT2AALDH1A1MAPT
SCHEMBL2462591 0.85 ENPP2 (0.39) ENPP2KCNH2KMT2AALDH1A1MAPT
SCHEMBL14746822 0.80 ENPP2 (0.57) ENPP2HTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL29550601 0.80 ENPP2 (0.57) ENPP2HTTSMN1; SMN2KMT2AMAPT
SCHEMBL29469117 0.80 ENPP2 (0.57) ENPP2HTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL520857 0.80 ENPP2 (0.57) ENPP2HTTSMN1; SMN2KMT2AMAPT
SCHEMBL12098298 0.78 ENPP2 (0.55) ENPP2HTTSMN1; SMN2KMT2AMAPT
SCHEMBL20639120 0.76 CA3 (0.41) HTTSMN1; SMN2SLC6A2SLC6A4SLC6A3

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