SCHEMBL24848671

SCHEMBL24848671

C=Cc1sc2ccccc2c1/C=C\CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
GPR3 P46089 1/20 0.35
MAPT P10636 5/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 5/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33

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
SCHEMBL20863341 0.89 KDM4E (0.37) KDM4ELMNACASP1GPR3MAPT
SCHEMBL21101404 0.84 KDM4E (0.36) KDM4ELMNACASP1GPR3MAPT
SCHEMBL13637910 0.83 GPR3 (0.46) KDM4ELMNACASP1GPR3MAPT
SCHEMBL12646557 0.82 KDM4E (0.39) KDM4ELMNACASP1GPR3MAPT
SCHEMBL18511240 0.79 GPR3 (0.39) KDM4ELMNACASP1GPR3MAPT
SCHEMBL19721723 0.79 GPR3 (0.39) KDM4ELMNACASP1GPR3RAB9A
SCHEMBL19309801 0.79 GPR3 (0.39) KDM4ELMNACASP1GPR3MAPT
SCHEMBL19309800 0.79 KDM4E (0.33) KDM4ELMNACASP1GPR3MAPT
SCHEMBL21415340 0.78 CNR2 (0.40) KDM4ELMNACASP1GPR3RAB9A
SCHEMBL19752578 0.76 TUBB4A (0.50) KDM4ELMNACASP1GPR3MAPT

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-2023273416-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-01-05 WO disclosed