SCHEMBL29403281

SCHEMBL29403281

CN(C)c1ccc(/C=C/c2ccccc2F)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 12/20 0.53
KDM4E B2RXH2 1/20 0.46
CHEK1 O14757 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
INSR P06213 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
RET P07949 1/20 0.42
RELA Q04206 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL11895869 1.00 NFE2L2 (0.53) NFE2L2KDM4ECHEK1NEK2LIMK1
SCHEMBL11895872 1.00 NFE2L2 (0.53) NFE2L2KDM4ECHEK1NEK2LIMK1
SCHEMBL9915625 0.88 CHEK1 (0.55) KDM4ECHEK1NEK2LIMK1DYRK1A
SCHEMBL13284469 0.79 CHEK1 (0.50) KDM4ECHEK1NEK2LIMK1DYRK1A
SCHEMBL8699190 0.77 RET (0.40) KDM4ECHEK1NEK2LIMK1DYRK1A
SCHEMBL9393214 0.75 INSR (0.47) NFE2L2KDM4ECHEK1NEK2LIMK1
SCHEMBL13759864 0.75 CHEK1 (0.46) KDM4ECHEK1NEK2LIMK1DYRK1A
SCHEMBL28048773 0.74 MAPT (0.60) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL16070373 0.74 NPC1 (0.50) KDM4ECHEK1NEK2LIMK1DYRK1A
SCHEMBL9314848 0.74 CHEK1 (0.57) KDM4ECHEK1NEK2LIMK1DYRK1A

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
CN-110015962-B Stilbene analogs and methods of treating cancer 肯塔基大学研究基金会 2022-03-15 CN disclosed