SCHEMBL6269802

SCHEMBL6269802

O=C(Nc1ccccc1)c1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.48
SGMS2 Q8NHU3 2/20 0.40
ACP1 P24666 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN13 Q12923 1/20 0.40
SSU72 Q9NP77 1/20 0.40
MET P08581 1/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6269800 1.00 LRRK2 (0.48) LRRK2SGMS2ACP1PTPN12PTPN13
SCHEMBL6267508 0.91 FOLH1 (0.39) LRRK2ACP1PTPN12PTPN13SSU72
SCHEMBL6267511 0.91 FOLH1 (0.39) LRRK2ACP1PTPN12PTPN13SSU72
SCHEMBL6267521 0.91 AKR1C3 (0.40) LRRK2AKR1C3KMT2A
SCHEMBL6267524 0.91 AKR1C3 (0.40) LRRK2AKR1C3KMT2A
SCHEMBL6273369 0.91 LRRK2 (0.39) LRRK2AKR1C3KMT2A
SCHEMBL6272446 0.91 KCNH2 (0.40) LRRK2
SCHEMBL6272451 0.91 KCNH2 (0.40) LRRK2
SCHEMBL6273370 0.91 LRRK2 (0.39) LRRK2AKR1C3KMT2A
SCHEMBL6267977 0.90 PTPN2 (0.40) ACP1PTPN12PTPN13SSU72MEN1

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-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed