SCHEMBL24900353

SCHEMBL24900353

c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4[nH]c5ccccc5c4c3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ KIF11 P52732 4/20 0.41
▸ GABRA1 P14867 4/20 0.41
▸ GABRG2 P18507 4/20 0.41
▸ GABRB3 P28472 4/20 0.41
▸ GABRA5 P31644 4/20 0.41
▸ GABRA3 P34903 4/20 0.41
▸ GABRA2 P47869 4/20 0.41
▸ GABRA6 Q16445 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GABRP O00591 3/20 0.41
▸ GABRD O14764 3/20 0.41
▸ GABRB1 P18505 3/20 0.41

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
SCHEMBL17285407 0.90 AHR (0.50) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17461223 0.89 AHR (0.48) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL12034342 0.85 AHR (0.55) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29720779 0.85 AHR (0.55) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL14659482 0.85 JAK2 (0.46) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17118500 0.84 AHR (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17166808 0.83 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL21096036 0.83 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18595766 0.83 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL19500811 0.83 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11

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
EP-4120381-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2023-01-18 — — EP disclosed
Send feedback