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Sugi Predict / Compounds / SCHEMBL23622201

SCHEMBL23622201

SCHEMBL23622201

c1ccc([Si](c2ccccc2)(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccc([Si](c8ccccc8)(c8ccccc8)c8ccc(-c9nc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc8)cc7)cc(-n7c8ccccc8c8ccccc87)n6)ccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ PTGES O14684 1/20 0.30

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
SCHEMBL23622755 1.00 MAPT (0.37) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL25904519 0.99 MAPT (0.36) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL25874906 0.96 MAPK1 (0.40) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL23622149 0.92 MAPT (0.38) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL16939522 0.90 KDM4E (0.40) PTGER4PTGES
SCHEMBL23622588 0.90 L3MBTL1 (0.34) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL25874907 0.90 L3MBTL1 (0.34) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL17228031 0.89 MAPT (0.44) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL25949238 0.89 MAPT (0.45) MAPTNPSR1TSHRMAPK1HSD17B10
SCHEMBL23622636 0.88 MAPK1 (0.33) MAPTNPSR1TSHRMAPK1HSD17B10

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
US-20210210700-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-07-08 — — US disclosed