SCHEMBL6282221

SCHEMBL6282221

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
ADRB1 P08588 3/20 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
ADRB3 P13945 6/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LRRK2 Q5S007 2/20 0.36
AKR1C3 P42330 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL6272839 0.92 KMT2A (0.42) KMT2ASLC2A1ADRB1ACP1PTPN12
SCHEMBL6272911 0.90 KMT2A (0.42) KMT2ASLC2A1ACP1PTPN12PTPN13
SCHEMBL6272444 0.89 ADRB3 (0.43) KMT2AADRB1ADRB3LRRK2AKR1C3
SCHEMBL6273366 0.89 AKR1C3 (0.42) KMT2ALRRK2AKR1C3
SCHEMBL6274430 0.88 AKR1C3 (0.43) KMT2ALRRK2AKR1C3
SCHEMBL6269797 0.88 LRRK2 (0.49) KMT2ASLC2A1ACP1PTPN12PTPN13
SCHEMBL6267515 0.88 AKR1C3 (0.42) KMT2ALRRK2AKR1C3
SCHEMBL6269313 0.82 KMT2A (0.44) KMT2AADRB3AKR1C3
SCHEMBL6273802 0.82 SIRT2 (0.41) KMT2AFFAR1ADAMTS4
SCHEMBL6272944 0.82 ADRB1 (0.37) KMT2ASLC2A1ADRB1ADRB3ADAMTS4

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