SCHEMBL6681905

SCHEMBL6681905

CNC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(Cc3ccccc3)[C@H](O)c3cccc(Cl)c3)cc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB P07437 1/20 0.41
HAT1 O14929 4/20 0.39
EP300 Q09472 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 5/20 0.38
ADRB3 P13945 5/20 0.37
ADRB1 P08588 3/20 0.37
ADRB2 P07550 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL6679246 0.88 ADORA1 (0.40) HAT1EP300KMT2ASLC2A1ADRB3
SCHEMBL6678770 0.87 ADRB3 (0.43) HAT1EP300ADRB3ADRB1
SCHEMBL6679483 0.85 SLC2A1 (0.39) HAT1EP300SLC2A1ADRB3ADRB1
SCHEMBL6679282 0.85 SLC2A1 (0.39) HAT1EP300SLC2A1ADRB3ADRB1
SCHEMBL6679530 0.84 ADORA1 (0.38) KMT2ASLC2A1ADRB3ADRB1ADRB2
SCHEMBL6269328 0.82 KDM4E (0.41) HAT1EP300MEN1KMT2AADRB3
SCHEMBL6272839 0.82 KMT2A (0.42) KMT2ASLC2A1ADRB3ADRB1
SCHEMBL6679815 0.81 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6679821 0.81 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6272444 0.81 ADRB3 (0.43) KMT2AADRB3ADRB1

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-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed