SCHEMBL28635928

SCHEMBL28635928

CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)C(=N)c3ccccc3C)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.39
▸ APEX1 P27695 1/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PTPN11 Q06124 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
SCHEMBL18838855 0.93 APEX1 (0.38) PDK2APEX1HTR7HTR2B
SCHEMBL24426159 0.88 APEX1 (0.37) PDK2APEX1HTR7HTR2B
SCHEMBL21168758 0.86 PDK2 (0.41) PDK2APEX1CNR2
SCHEMBL19832616 0.85 APEX1 (0.35) PDK2APEX1HTR7HTR2B
SCHEMBL24426185 0.84 APEX1 (0.40) PDK2APEX1
SCHEMBL13497474 0.81 PDK2 (0.42) PDK2APEX1
SCHEMBL24426169 0.81 CNR2 (0.43) CNR2
SCHEMBL19832350 0.80 CNR2 (0.38) PDK2APEX1CNR2
SCHEMBL14768863 0.80 PDK2 (0.45) PDK2APEX1
SCHEMBL17084351 0.79 ALDH1A1 (0.42) PDK2APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210219-A Oxime ester photoinitiators 巴斯夫欧洲公司 2022-10-18 — — CN disclosed
CN-113316744-A Oxime ester photoinitiators with specific aroyl chromophores 巴斯夫欧洲公司 2021-08-27 — — CN disclosed
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