SCHEMBL8913632

SCHEMBL8913632

COC(=O)c1c(-c2ccccc2)ccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
PRKCZ Q05513 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
EGFR P00533 1/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
PTGS1 P23219 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
GRM6 O15303 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL13824200 0.87 HTT (0.51) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL9955430 0.86 HTT (0.54) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL29944963 0.84 HTT (0.49) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL28863790 0.84 HTT (0.49) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL13228930 0.84 HTT (0.62) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL13823882 0.83 HTT (0.54) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL29706678 0.82 BDKRB1 (0.57) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL8915221 0.81 FOLH1 (0.44) HTTLMNAMEN1KMT2AHPGD
SCHEMBL13824217 0.79 HTT (0.47) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL3518044 0.79 CA12 (0.48) HTTLMNAALDH1A1MEN1KMT2A

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-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 US disclosed