SCHEMBL24969718

SCHEMBL24969718

CC1(C)c2ccc(Nc3ccc4sc5ccccc5c4c3)cc2-c2cc(-c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.41
▸ MAPT P10636 3/20 0.38
▸ DHODH Q02127 1/20 0.35
▸ RIPK2 O43353 2/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35
▸ PIM3 Q86V86 1/20 0.34
▸ MMP12 P39900 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN12 Q05209 1/20 0.33
▸ PTPN22 Q9Y2R2 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ HPGD P15428 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
SCHEMBL22679979 0.91 RIPK2 (0.37) PTGIRMAPTRIPK2RIPK3PIM3
SCHEMBL17742402 0.88 PTGIR (0.44) PTGIRMAPTDHODHMMP12MMP13
SCHEMBL19147810 0.87 RIPK2 (0.35) PTGIRMAPTRIPK2RIPK3PIM3
SCHEMBL17550923 0.85 PTGIR (0.38) PTGIRMAPTDHODHRIPK2RIPK3
SCHEMBL804777 0.85 GPR3 (0.44) PTGIRMAPTPIM3MMP12MMP13
SCHEMBL24809299 0.83 PDK2 (0.37) PTGIRMAPTRIPK2RIPK3PIM3
SCHEMBL15714096 0.82 PDK2 (0.38) PTGIRMAPTDHODHRIPK2RIPK3
SCHEMBL23208038 0.82 APP (0.42) MAPTALDH1A1HPGDTDP1L3MBTL1
SCHEMBL24807990 0.82 PTGIR (0.52) PTGIRMAPTDHODHMMP12MMP13
SCHEMBL31685946 0.82 PTGIR (0.52) PTGIRMAPTDHODHMMP12MMP13

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-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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