SCHEMBL25754727

SCHEMBL25754727

Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.65
GRM2 Q14416 3/20 0.53
WNT3A P56704 1/20 0.53
SCN5A Q14524 3/20 0.49
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PORCN Q9H237 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45
GPR142 Q7Z601 1/20 0.45
PDK2 Q15119 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.44
SCN9A Q15858 1/20 0.44
ABL1 P00519 1/20 0.43
KIF11 P52732 1/20 0.43

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
SCHEMBL27859569 0.89 DYRK1A (0.52) DYRK1AGRM2WNT3ASCN5APSEN1
SCHEMBL17396830 0.84 DYRK1A (0.62) DYRK1AGRM2WNT3ACYP2D6CYP2C9
SCHEMBL12368117 0.80 DYRK1A (0.45) DYRK1AGRM2WNT3ASCN5ACYP2D6
SCHEMBL31729856 0.80 DYRK1A (0.45) DYRK1AGRM2WNT3APSEN1PSEN2
SCHEMBL13741332 0.80 SCN5A (0.49) DYRK1ASCN5ASCN9AABL1KIF11
SCHEMBL1229896 0.80 SCN5A (0.49) DYRK1ASCN5AKCNH2SCN9AABL1
SCHEMBL2185201 0.80 WNT3A (0.71) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL28043073 0.80 SCN5A (0.46) DYRK1AWNT3ASCN5ASCN10ASCN9A
SCHEMBL25755093 0.80 SCN5A (0.46) DYRK1ASCN5AKCNH2SCN10ASCN9A
SCHEMBL4084384 0.79 DYRK1A (1.00) DYRK1AWNT3APSEN1PSEN2APH1B

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-2023121184-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed