SCHEMBL6267977

SCHEMBL6267977

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
PTPN6 P29350 2/20 0.40
PTPRF P10586 1/20 0.39
PTPN11 Q06124 1/20 0.39
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB3 P13945 4/20 0.38
ADRB1 P08588 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACP1 P24666 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN13 Q12923 1/20 0.37
SSU72 Q9NP77 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6267975 1.00 PTPN2 (0.40) PTPN2PTPN1PTPN6PTPRFPTPN11
SCHEMBL6267511 0.92 FOLH1 (0.39) KCNH2ADRB3ADRB1ACP1PTPN12
SCHEMBL6267508 0.92 FOLH1 (0.39) KCNH2ADRB3ADRB1ACP1PTPN12
SCHEMBL6273590 0.91 MEN1 (0.37) KCNH2L3MBTL1ADRB3ADRB1ALDH1A1
SCHEMBL6273586 0.91 MEN1 (0.37) KCNH2L3MBTL1ADRB3ADRB1ALDH1A1
SCHEMBL6272922 0.91 KMT2A (0.39) KCNH2L3MBTL1ALDH1A1ACP1PTPN12
SCHEMBL6272918 0.91 KMT2A (0.39) KCNH2L3MBTL1ALDH1A1ACP1PTPN12
SCHEMBL6273369 0.91 LRRK2 (0.39) KCNH2ADRB3ADRB1KMT2A
SCHEMBL6272451 0.91 KCNH2 (0.40) KCNH2ADRB3ADRB1
SCHEMBL6273370 0.91 LRRK2 (0.39) KCNH2ADRB3ADRB1KMT2A

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