SCHEMBL25868191

SCHEMBL25868191

CCCCCOc1cc(Br)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.48
▸ CYSLTR1 Q9Y271 1/20 0.48
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ THRA P10827 3/20 0.42
▸ THRB P10828 3/20 0.42
▸ SMPD1 P17405 4/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ S1PR3 Q99500 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39

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
SCHEMBL3222619 0.98 CYSLTR2 (0.50) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL4966497 0.94 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL26667665 0.89 HPGD (0.54) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL1459228 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL5441890 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL1777203 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL29840690 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL6474422 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL3518371 0.83 ALDH1A1 (0.38) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD
SCHEMBL15641111 0.82 NR5A1 (0.51) THRATHRBSMPD1

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-20230228746-A1 Water-soluble M-conjugated fluorescent 1,1-binaphthyl-based tandem polymers Miltenyi Biotec B.V. & Co. KG (DE) 2023-07-20 — — US disclosed
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