SCHEMBL29952273

SCHEMBL29952273

OB(O)c1cccc(OC(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
KMT2A Q03164 2/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIPE Q05469 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALOX12 P18054 1/20 0.33
NR1I2 O75469 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL2031080 0.85 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL29782342 0.85 ENPP2 (0.42) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL14746822 0.82 ENPP2 (0.57) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL29469117 0.82 ENPP2 (0.57) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL29954596 0.80 ENPP2 (0.41) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL2452517 0.80 ALDH1A1 (0.42) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL29953320 0.79 ENPP2 (0.40) ENPP2KMT2AORAI1ORAI2ORAI3
SCHEMBL29427098 0.79 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3SMN1; SMN2
SCHEMBL126401 0.79 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3SMN1; SMN2
SCHEMBL29956495 0.76 ENPP2 (0.39) ENPP2KMT2AHTTSMN1; SMN2LIPE

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