SCHEMBL7202991

SCHEMBL7202991

N#CC(C(=O)c1c(F)c(F)c(F)c(F)c1C(=O)C(C#N)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALPG P10696 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPA1 O75762 1/20 0.37
MAPK1 P28482 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 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
SCHEMBL7196084 0.95 LMNA (0.42) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7202579 0.81 TSHR (0.42) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7203037 0.79 TSHR (0.41) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL10961373 0.79 L3MBTL1 (0.46) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5505530 0.78 L3MBTL1 (0.61) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7202862 0.78 L3MBTL1 (0.55) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7196088 0.78 TSHR (0.47) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL19925907 0.78 CES2 (0.47) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL29875006 0.78 CES2 (0.47) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL1019171 0.75 TSHR (0.52) LMNAALDH1A1HPGDSMN1; SMN2HTT

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
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed