SCHEMBL28716082

SCHEMBL28716082

CCCc1ccc(-c2ccccc2F)c(-c2ccccc2CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ PDK2 Q15119 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNN4 O15554 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.37

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
SCHEMBL8375653 0.82 GRIA4 (0.42) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL8463454 0.82 KCNN4 (0.53) CSNK2A2CSNK2BCSNK2A1CSNK2A3LMNA
SCHEMBL7933610 0.80 CNR1 (0.57) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL8375601 0.79 NPC1 (0.45) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL12881304 0.77 CNR1 (0.71) PDK2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12881959 0.77 CNR1 (0.71) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDK2
SCHEMBL19226821 0.75 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDK2
SCHEMBL31027166 0.74 RARB (0.42) PDK2CNR1CNR2PDE3BPDE3A
SCHEMBL8380914 0.74 KDM1A (0.45) PDK2
SCHEMBL29923675 0.74 PDK2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114264536-B Pretreatment method for detecting liquid crystal monomer in biological sample 南京理工大学 2022-12-13 — — CN claimed
CN-114264536-A Pretreatment method for detecting liquid crystal monomer in biological sample 南京理工大学 2022-04-01 — — CN claimed
CN-114264536-B Pretreatment method for detecting liquid crystal monomer in biological sample 南京理工大学 2022-12-13 — — CN disclosed
CN-114264536-A Pretreatment method for detecting liquid crystal monomer in biological sample 南京理工大学 2022-04-01 — — CN disclosed
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