SCHEMBL29955103

SCHEMBL29955103

CCOc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
NQO1 P15559 1/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PDK2 Q15119 2/20 0.41
AR P10275 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
PAX8 Q06710 1/20 0.39
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
LTA4H P09960 1/20 0.37
NPC1 O15118 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL3563846 1.00 LMNA (0.42) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL1436749 0.87 PDK2 (0.44) MAPTL3MBTL1KMT2AKDM4EPDK2
SCHEMBL41862 0.81 EPHX2 (0.44) LMNAMAPTL3MBTL1ATMAR
SCHEMBL29653552 0.81 EPHX2 (0.44) LMNAMAPTL3MBTL1ATMAR
SCHEMBL15332562 0.80 AR (0.50) LMNAPDK2AR
SCHEMBL5953481 0.80 L3MBTL1 (0.43) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL5953654 0.79 MAPT (0.45) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL10088500 0.78 NQO1 (0.43) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL29956388 0.78 L3MBTL1 (0.44) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL28050159 0.77 NQO1 (0.46) MAPTNQO1KMT2AKDM4EALDH1A1

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