SCHEMBL6272944

SCHEMBL6272944

Cc1cc(S(=O)(=O)c2ccc(CCNC(Cc3ccccc3)[C@H](O)c3cccc(Cl)c3)cc2)cc(C(N)=O)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.37
ADRB3 P13945 5/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
SLC2A1 P11166 1/20 0.37
HAT1 O14929 3/20 0.36
EP300 Q09472 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 2/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6272488 0.93 F2 (0.37) ADRB1ADRB3SLC2A1HAT1EP300
SCHEMBL6279664 0.91 ADAMTS4 (0.37) HAT1EP300L3MBTL1KMT2AADAMTS4
SCHEMBL6276815 0.89 GAA (0.36) HAT1EP300L3MBTL1KMT2ACYP1A2
SCHEMBL6272911 0.88 KMT2A (0.42) ADRB3AURKARPS6KB1SLC2A1HAT1
SCHEMBL6272839 0.83 KMT2A (0.42) ADRB1ADRB3SLC2A1KMT2A
SCHEMBL6267905 0.83 ADRB3 (0.39) ADRB1ADRB3SLC2A1HAT1EP300
SCHEMBL6282221 0.82 KMT2A (0.39) ADRB1ADRB3SLC2A1ADRB2KMT2A
SCHEMBL6272946 0.81 NR1H3 (0.36) ADRB1ADRB3AURKARPS6KB1L3MBTL1
SCHEMBL6272444 0.81 ADRB3 (0.43) ADRB1ADRB3KMT2A
SCHEMBL6273366 0.81 AKR1C3 (0.42) KMT2A

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