SCHEMBL29954677

SCHEMBL29954677

COCOc1ccc(F)c(B(O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.33
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
ENPP2 Q13822 2/20 0.31
PTPN1 P18031 1/20 0.31
EGFR P00533 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
SCHEMBL16668301 0.84 TSHR (0.39) EGFR
SCHEMBL29954273 0.84 TSHR (0.39) EGFR
SCHEMBL14120419 0.82 ENPP2 (0.38) HTR2AHTR2CHTR2BENPP2EGFR
SCHEMBL29955114 0.82 ENPP2 (0.38) HTR2AHTR2CHTR2BENPP2EGFR
SCHEMBL22208982 0.78 CLCN2 (0.39) CLCN2PTGDR2HTR2AHTR2CHTR2B
SCHEMBL28580785 0.78 PTPN1 (0.41) ENPP2PTPN1EGFR
SCHEMBL29950787 0.76 LIPE (0.50) CLCN2ENPP2
SCHEMBL29955101 0.72 ENPP2 (0.44) ENPP2EGFR
SCHEMBL16348386 0.72 ENPP2 (0.44) ENPP2EGFR
SCHEMBL21246882 0.71 KCNN4 (0.40) CLCN2HTR2APTPN1

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