SCHEMBL29954750

SCHEMBL29954750

CN(CC(=O)NC1CC1)c1c(F)cc(C=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 2/20 0.37
SMO Q99835 1/20 0.37
GRIN2B Q13224 4/20 0.36
MAPK1 P28482 1/20 0.36
MELK Q14680 1/20 0.35

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
SCHEMBL29951768 0.85 MAOA (0.39) HPGDMAOALMNAALDH1A1MAPT
SCHEMBL2561584 0.81 ALDH1A1 (0.40) LMNAALDH1A1GAA
SCHEMBL2556451 0.79 ALDH1A1 (0.42) HPGDLMNAALDH1A1GAA
SCHEMBL29952930 0.78 ALDH1A1 (0.45) MAOALMNAALDH1A1MAPTGAA
SCHEMBL2561754 0.78 ALDH1A1 (0.41) HPGDLMNAALDH1A1MAPTGAA
SCHEMBL2555782 0.77 MEN1 (0.35) LMNAALDH1A1MAPTGAAGRIN2B
SCHEMBL29952559 0.76 MAOA (0.43) HPGDMAOALMNAALDH1A1MAPT
SCHEMBL29956614 0.76 LMNA (0.43) HPGDMAOALMNAMAPTGRIN2B
SCHEMBL2555463 0.75 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL29956007 0.71 MAOA (0.49) MAOAGAA

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