SCHEMBL19097992

SCHEMBL19097992

Nc1ccc(/C=C/c2ccc3c(c2)CCO3)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.47
DYRK1B Q9Y463 5/20 0.47
DYRK2 Q92630 3/20 0.47
PRKCI P41743 1/20 0.42
CLK1 P49759 3/20 0.41
ERN1 O75460 1/20 0.40
PIK3CA P42336 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39
KCNH2 Q12809 3/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL21933249 0.77 CYP19A1 (0.66) MAPTRAB9ASMN1; SMN2CYP19A1
SCHEMBL17821835 0.74 DYRK1A (0.54) DYRK1ADYRK1BDYRK2PRKCICLK1
SCHEMBL15965547 0.74 DYRK1A (0.54) DYRK1ADYRK1BDYRK2PRKCICLK1
SCHEMBL17821837 0.74 DYRK1A (0.54) DYRK1ADYRK1BDYRK2PRKCICLK1
SCHEMBL11981321 0.74 CYP3A4 (0.56) DYRK1ADYRK1BDYRK2PRKCICLK1
SCHEMBL19097994 0.74 NPC1 (0.44) DYRK1ADYRK1BDYRK2ERN1PIK3CA
SCHEMBL19805778 0.73 KDM4E (0.53) DYRK1ADYRK1BDYRK2PRKCICLK1
SCHEMBL16178877 0.72 DYRK1A (0.41) DYRK1ADYRK1BDYRK2PRKCIERN1
SCHEMBL1647020 0.72 DYRK1A (0.55) DYRK1ADYRK1BDYRK2PRKCICLK1
SCHEMBL29585187 0.72 DYRK1A (0.55) DYRK1ADYRK1BDYRK2PRKCICLK1

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-2017113964-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF 北京理工大学 2017-07-06 WO disclosed