SCHEMBL30363256

SCHEMBL30363256

CC(C)(C)c1ccc(Nc2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.41
▸ PTPN7 P35236 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN12 Q05209 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ PRSS12 P56730 2/20 0.35
▸ TNKS O95271 2/20 0.34
▸ TNKS2 Q9H2K2 2/20 0.34
▸ KCNK18 Q7Z418 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL22938123 1.00 PTGIR (0.41) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL30363442 0.93 ABCG2 (0.37) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL26599434 0.93 ABCG2 (0.37) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL23422113 0.83 PARP14 (0.40) MAPTABCG2KIF11PRSS12TNKS
SCHEMBL29514897 0.82 PTGIR (0.48) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL18216689 0.82 PTGIR (0.48) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL23118205 0.81 PTGIR (0.49) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL22136504 0.81 PTGIR (0.43) PTGIRPTPN7DUSP3PTPN12PTPN22
SCHEMBL23118189 0.80 AKR1C3 (0.46) MAPTABCG2DHODHKCNK18SERPINE1
SCHEMBL30503054 0.80 AKR1C3 (0.46) MAPTABCG2DHODHKCNK18SERPINE1

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-113454092-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-06-14 — — CN disclosed
CN-115989725-A Compound and organic light emitting device including the same 株式会社LG化学 2023-04-18 — — CN disclosed
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