SCHEMBL21759166

SCHEMBL21759166

CNc1cc(SC(F)(F)F)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPRZ1 P23471 2/20 0.38
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.36
IDO1 P14902 1/20 0.35
KIF11 P52732 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KCNK2 O95069 6/20 0.35
KCNK10 P57789 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 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
SCHEMBL21766011 0.79 LMNA (0.49) LMNAMAPTTSHRMAPK1HTT
SCHEMBL28317763 0.78 LMNA (0.36) LMNAMAPTTSHRMAPK1HTT
SCHEMBL3625294 0.76 KDM4E (0.39) LMNAMAPTTSHRMAPK1HTT
SCHEMBL4141971 0.76 SMN1; SMN2 (0.45) LMNAMAPTTSHRMAPK1HTT
SCHEMBL22620333 0.76 APP (0.44) LMNAMAPTTSHRMAPK1HTT
SCHEMBL1128300 0.76 SMN1; SMN2 (0.47) LMNAMAPTTSHRMAPK1HTT
SCHEMBL4142050 0.75 KDM4E (0.42) LMNAMAPTTSHRMAPK1HTT
SCHEMBL29543347 0.75 KDM4E (0.47) LMNAMAPTTSHRMAPK1HTT
SCHEMBL17382597 0.75 KDM4E (0.47) LMNAMAPTTSHRMAPK1HTT
SCHEMBL1022506 0.73 ALDH1A1 (0.54) LMNAMAPTTSHRMAPK1HTT

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-2020040077-A1 BENZOXAZOLE COMPOUND AND APPLICATION THEREFOR 住友化学株式会社 2020-02-27 WO disclosed