SCHEMBL6273328

SCHEMBL6273328

Cc1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@@H](O)c3ccc(Cl)nc3)cc2)cc(C(N)=O)c1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP51A1 Q16850 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.33
BCHE P06276 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL6273326 1.00 KCNH2 (0.35) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6274398 0.94 LTB4R (0.37) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6274396 0.94 LTB4R (0.37) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6267534 0.92 KCNH2 (0.36) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6267536 0.92 KCNH2 (0.36) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6272815 0.92 KCNH2 (0.36) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6272819 0.92 KCNH2 (0.36) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6271178 0.92 L3MBTL1 (0.39) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6271175 0.92 L3MBTL1 (0.39) KCNH2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6274494 0.90 KCNH2 (0.35) KCNH2ALDH1A1MEN1KMT2AL3MBTL1

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