SCHEMBL29954645

SCHEMBL29954645

Cc1cc(C)c2[nH]c(-c3ccc(F)cc3)c(C=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.40
MAPT P10636 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ABCB1 P08183 1/20 0.38
APOL1 O14791 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
ERN1 O75460 1/20 0.36
PTGS2 P35354 3/20 0.35
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL29951123 0.90 MAPT (0.42) MAPTMGAMGAASIMGAM2
SCHEMBL15332815 0.89 APOL1 (0.46) TNKS2ALDH1A1APOL1
SCHEMBL15332833 0.89 MAPT (0.41) TNKS2MAPTMGAMGAASI
SCHEMBL15329748 0.86 ERN1 (0.40) TNKS2MAPTMGAMGAASI
SCHEMBL15330604 0.86 MAPT (0.40) MAPTABCB1SMN1; SMN2FFAR4PTGS2
SCHEMBL29951636 0.85 TNKS2 (0.44) TNKS2MAPTMGAMGAASI
SCHEMBL29951627 0.84 MAPT (0.38) MAPTABCB1SMN1; SMN2ERN1
SCHEMBL2557465 0.84 MAPT (0.38) MAPTABCB1SMN1; SMN2ERN1
SCHEMBL2562653 0.83 MEN1 (0.41) MAPTMGAMGAASIMGAM2
SCHEMBL15332296 0.83 MAPT (0.37) MAPTMGAMGAASIMGAM2

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