SCHEMBL29955039

SCHEMBL29955039

CCCOc1ncc(B(O)O)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
CSNK2A1 P68400 2/20 0.33
TTR P02766 1/20 0.32
BCHE P06276 1/20 0.32
LIPE Q05469 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSMB5 P28074 1/20 0.30
RORC P51449 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL29956760 0.92 BCHE (0.38) ENPP2BCHELIPEALDH1A1KMT2A
SCHEMBL14120573 0.87 RORC (0.39) ENPP2TTRMAPTKMT2ALMNA
SCHEMBL29956843 0.82 PTGS1 (0.32) ALDH1A1LPLLIPG
SCHEMBL29953456 0.80 ENPP2 (0.40) ENPP2TTRMAPTLMNACYP2C9
SCHEMBL1811195 0.80 ENPP2 (0.40) ENPP2TTRMAPTLMNACYP2C9
SCHEMBL29957240 0.79 SCN9A (0.44) CYP2C9
SCHEMBL366465 0.79 SCN9A (0.44) CYP2C9
SCHEMBL12037985 0.76 SSTR4 (0.39) CSNK2A1BCHELIPEMCOLN3MEN1
SCHEMBL29957127 0.75 SMN1; SMN2 (0.37) ENPP2CSNK2A1BCHELIPEMEN1
SCHEMBL16734291 0.75 RORC (0.37) ENPP2TTRLMNACYP2C9TSHR

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