SCHEMBL29950828

SCHEMBL29950828

OB(O)c1cccc(F)c1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
ENPP2 Q13822 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL31546303 0.85 ENPP2 (0.34) SCN9AENPP2ALDH1A1HTR1ASLC6A2
SCHEMBL29954776 0.83 ATM (0.39) SCN9AENPP2KMT2AALDH1A1ATM
SCHEMBL7775162 0.80 SCN9A (0.40) SCN9AKMT2AALDH1A1POLBHTR1A
SCHEMBL5198 0.79 ENPP2 (0.47) ENPP2KMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL900047 0.79 ACHE (0.44) SCN9AATMHTR1ASLC6A2SLC6A4
SCHEMBL29956129 0.74 L3MBTL1 (0.40) ENPP2KMT2AALDH1A1POLB
SCHEMBL29952273 0.74 ENPP2 (0.42) ENPP2KMT2AALDH1A1POLBSLC6A2
SCHEMBL3984741 0.74 L3MBTL1 (0.40) ENPP2KMT2AALDH1A1POLB
SCHEMBL7772645 0.74 ERN1 (0.37) ENPP2
SCHEMBL12180288 0.72 GABRA1 (0.39) SCN9ASLC6A2

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