SCHEMBL29954478

SCHEMBL29954478

O=S(=O)(c1ccccc1)n1cccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 4/20 0.48
HTR6 P50406 6/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
APEH P13798 1/20 0.43
PARL Q9H300 1/20 0.42
MET P08581 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38

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
SCHEMBL29952669 0.76 ENPP2 (0.35) PPME1HTR6APEHRAPGEF4
SCHEMBL27662268 0.73 PPME1 (0.49) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL17900455 0.73 PPME1 (0.49) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL28139909 0.72 PPME1 (0.51) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL1599343 0.72 HTR6 (0.50) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL28189646 0.72 HTR6 (0.50) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL1599348 0.72 HTR6 (0.50) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL14760380 0.72 HTR6 (0.50) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL12598891 0.71 HTR6 (0.55) PPME1HTR6LMNAMEN1ALDH1A1
SCHEMBL29713729 0.71 PPME1 (0.55) PPME1HTR6LMNAMEN1ALDH1A1

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