SCHEMBL22782136

SCHEMBL22782136

CCC1(CC)c2ccccc2-c2ccc(C(=O)/C(C)=N/OC=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.38
▸ APEX1 P27695 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL22782107 0.91 APEX1 (0.37) PDK2APEX1
SCHEMBL20763403 0.89 PDK2 (0.38) PDK2APEX1
SCHEMBL18235843 0.87 PDK2 (0.39) PDK2APEX1HTR7HTR2B
SCHEMBL20032518 0.87 PDK2 (0.39) PDK2APEX1HTR7HTR2B
SCHEMBL18222911 0.87 PDK2 (0.39) PDK2APEX1HTR7HTR2B
SCHEMBL20032407 0.86 PDK2 (0.38) PDK2APEX1HTR7HTR2B
SCHEMBL20032516 0.85 PDK2 (0.38) PDK2APEX1HTR7HTR2B
SCHEMBL18235845 0.85 PDK2 (0.38) PDK2APEX1HTR7HTR2B
SCHEMBL22782112 0.84 PDK2 (0.40) PDK2HTR7HTR2B
SCHEMBL28162990 0.84 KMT2A (0.42) PDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668948-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-10-25 — — EP disclosed
EP-3784754-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2022-06-08 — — EP disclosed
EP-3519533-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-12-16 — — EP disclosed
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