SCHEMBL29954419

SCHEMBL29954419

Nc1cccc(OC(F)(F)F)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.37
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32

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
SCHEMBL31023976 0.80 ERN1 (0.36) MPLKDM4EGAAALDH1A1TDP1
SCHEMBL31437514 0.79 ERN1 (0.38) KDM4EGAAPTGES2ALDH1A1TDP1
SCHEMBL19470537 0.79 MEN1 (0.55) KDM4EGAAALDH1A1TDP1MEN1
SCHEMBL14354200 0.79 MAOA (0.43) KDM4EGAAPTGES2ALDH1A1SLC40A1
SCHEMBL2203041 0.76 ALDH1A1 (0.54) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL29951648 0.75 ALDH1A1 (0.40) MPLKDM4EGAAPTGES2ALDH1A1
SCHEMBL2848722 0.75 MPL (0.41) MPLKDM4EGAAALDH1A1TDP1
SCHEMBL6535972 0.75 FFAR4 (0.43) KDM4EALDH1A1MEN1KMT2ASCN9A
SCHEMBL112134 0.74 ALDH1A1 (0.50) MPLKDM4EGAAALDH1A1TDP1
SCHEMBL29893374 0.74 ALDH1A1 (0.50) MPLKDM4EGAAALDH1A1TDP1

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