SCHEMBL22601002

SCHEMBL22601002

CC(C)n1c2ccccc2c2c3sc4ccccc4c3c3sc4ccccc4c3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCZ Q05513 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38

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
SCHEMBL21304033 0.80 MAPT (0.41) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL25702390 0.79 MAPT (0.41) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL21304218 0.78 MAPT (0.40) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL19845150 0.78 MAPT (0.40) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL16275338 0.77 MAPT (0.32) MAPTRXFP1
SCHEMBL19845152 0.76 MEN1 (0.40) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL16867206 0.75 MAPT (0.51) MAPTALDH1A1KDM4ERXFP1HPGD
SCHEMBL17405244 0.74 GPR3 (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL17010959 0.74 GPR3 (0.60) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL16275589 0.74 ATM (0.47) MEN1KMT2AMAPTATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020218558-A1 COMPOUND, MATERIAL FOR ORGANIC DEVICE, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER, ORGANIC FIELD-EFFECT TRANSISTOR, ORGANIC THIN-FILM SOLAR CELL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 学校法人関西学院 2020-10-29 — — WO disclosed
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