SCHEMBL11263059

SCHEMBL11263059

Cc1c(Br)cc2c(c1C)OCCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3882921 0.78 AKT1 (0.40) NOTUMGAAMEN1KMT2A
SCHEMBL30288133 0.78 AKT1 (0.40) NOTUMGAAMEN1KMT2A
SCHEMBL30783445 0.77 AHR (0.38) NOTUMNPSR1
SCHEMBL25166448 0.75 KDM4E (0.32) NOTUMGAAMEN1KMT2A
SCHEMBL9088450 0.75 AKT1 (0.42) —
SCHEMBL31472199 0.74 NOTUM (0.32) NOTUMHPGDNPSR1
SCHEMBL30451991 0.74 NOTUM (0.38) NOTUM
SCHEMBL24252953 0.74 NOTUM (0.38) NOTUM
SCHEMBL24662927 0.74 GAA (0.37) NOTUMGAA
SCHEMBL19814236 0.74 ACHE (0.32) MEN1HPGDKMT2ANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 — — US disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 — — US disclosed
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