SCHEMBL29955062

SCHEMBL29955062

OB(O)c1cc(O)nc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 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
SCHEMBL28454234 0.87 MGLL (0.43) MGLLHSP90AA1HSP90AB1LMNAPOLB
SCHEMBL29954732 0.80 MGLL (0.38) MGLLHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL29958230 0.78 HSP90AA1 (0.40) MGLLHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL21932635 0.78 HSP90AA1 (0.48) MGLLHSP90AA1HSP90AB1POLBALDH1A1
SCHEMBL29193016 0.78 MGLL (0.36) MGLLHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL2724555 0.74 GAA (0.42) MGLLHSP90AA1HSP90AB1ALDH1A1HPGD
SCHEMBL29955530 0.74 GAA (0.42) MGLLHSP90AA1HSP90AB1ALDH1A1HPGD
SCHEMBL2569082 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL25406786 0.73 TLR8 (0.41) MGLLLMNAALDH1A1HPGDMEN1
SCHEMBL2557427 0.73 MGLL (0.33) MGLL

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