SCHEMBL10826224

SCHEMBL10826224

CCCCC[C@H]1CC[C@H](CSc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAOA P21397 2/20 0.35
▸ BRCA1 P38398 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSPD1 P10809 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL10826226 1.00 ADORA2A (0.36) ADORA2AMEN1KMT2ATDP1MAPT
SCHEMBL15603992 0.84 ADORA2A (0.36) ADORA2AMEN1KMT2ATDP1MAPT
SCHEMBL11049024 0.75 MAOB (0.45) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL9176658 0.72 MEN1 (0.51) ADORA2AMEN1KMT2ATDP1MAPT
SCHEMBL11048137 0.72 MEN1 (0.41) MEN1KMT2ATDP1HPGDMAOB
SCHEMBL11048123 0.72 MEN1 (0.41) MEN1KMT2ATDP1HPGDMAOB
SCHEMBL9620077 0.71 MEN1 (0.50) ADORA2AMEN1KMT2ATDP1MAPT
SCHEMBL31718809 0.71 MEN1 (0.50) ADORA2AMEN1KMT2ATDP1MAPT
SCHEMBL11762190 0.70 ADORA2A (0.48) ADORA2AMEN1KMT2ATDP1MAPT
SCHEMBL10609299 0.70 MEN1 (0.45) ADORA2AMEN1KMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 — — US disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 — — EP disclosed
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