SCHEMBL17285407

SCHEMBL17285407

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ KIF11 P52732 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GABRA1 P14867 6/20 0.43
▸ GABRG2 P18507 6/20 0.43
▸ GABRB3 P28472 6/20 0.43
▸ GABRA5 P31644 6/20 0.43
▸ GABRA3 P34903 6/20 0.43
▸ GABRA2 P47869 6/20 0.43
▸ GABRA6 Q16445 6/20 0.43
▸ GABRA4 P48169 5/20 0.42
▸ GABRP O00591 4/20 0.42
▸ GABRD O14764 4/20 0.42

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
SCHEMBL14659482 0.95 JAK2 (0.46) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL17461223 0.92 AHR (0.48) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL24900353 0.90 AHR (0.47) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL17118500 0.90 AHR (0.41) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL12034342 0.88 AHR (0.55) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL29720779 0.88 AHR (0.55) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL3416446 0.86 AHR (0.61) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL20233957 0.86 AHR (0.61) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL7647500 0.86 AHR (0.61) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL20234009 0.86 AHR (0.61) AHRKIF11ALDH1A1HSD17B10GPR3

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-2015178732-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-26 — — WO disclosed
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