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Sugi Predict / Compounds / SCHEMBL28619405

SCHEMBL28619405

SCHEMBL28619405

CC1(C)c2ccccc2-c2cccc(-c3cc(Cl)cc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.42
▸ PDK2 Q15119 7/20 0.40
▸ AKR1A1 P14550 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PTPRC P08575 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
SCHEMBL24279381 0.94 PDK2 (0.40) PGRPDK2CNR1CNR2
SCHEMBL25396305 0.88 PGR (0.48) PGRPDK2AKR1A1AKR1B1
SCHEMBL16858252 0.84 PGR (0.45) PGRPDK2
SCHEMBL24681496 0.81 PGR (0.44) PGRPDK2
SCHEMBL3271140 0.81 PGR (0.37) PGRPDK2
SCHEMBL706442 0.80 ALDH1A1 (0.41) PGRPDK2
SCHEMBL30084636 0.80 ALDH1A1 (0.41) PGRPDK2
SCHEMBL29919652 0.80 ALDH1A1 (0.41) PGRPDK2
SCHEMBL23989203 0.79 PDK2 (0.45) PDK2AKR1A1AKR1B1CNR1CNR2
SCHEMBL20698511 0.78 PDK2 (0.33) PGRPDK2

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-113248426-B Heterocyclic triarylamine compound and organic photoelectric device containing same 浙江华显光电科技有限公司 2024-10-18 — — CN disclosed
CN-113248426-A Heterocyclic triarylamine compound and organic photoelectric device containing same 浙江华显光电科技有限公司 2021-08-13 — — CN disclosed