SCHEMBL5034641

SCHEMBL5034641

NC(=O)c1ccccc1/C=C/C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ METAP2 P50579 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BCAT2 O15382 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ GUSB P08236 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL5034649 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1415250 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6552621 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL3110380 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL28573346 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL17574533 0.77 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL15043860 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL5678519 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL5678522 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1004375 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 — — EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 — — WO claimed
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