SCHEMBL10425941

SCHEMBL10425941

CCN(CC)C(C)Oc1ccc(NS(C)(=O)=O)cc1C(=O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 15/20 0.43
▸ TSHR P16473 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ NR3C2 P08235 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL10426115 0.84 KMT2A (0.43) ABCB1KCNH2KMT2ANR3C2
Bromide SCHEMBL10426793 0.83 KMT2A (0.43) ABCB1KCNH2KMT2ANR3C2
SCHEMBL10426114 0.82 ALDH1A1 (0.40) TSHRKCNH2KMT2AMEN1
SCHEMBL10425940 0.80 MCHR1 (0.50) ABCB1TSHRKCNH2KMT2A
SCHEMBL10426726 0.80 ESR1 (0.43) KMT2AMEN1
Bromide SCHEMBL10426742 0.80 MCHR1 (0.49) ABCB1TSHRKCNH2KMT2A
SCHEMBL11403943 0.68 ALDH1A1 (0.46) TSHRKCNH2KMT2AMEN1
SCHEMBL3500698 0.66 SGMS2 (0.52) KMT2AMEN1
SCHEMBL9215571 0.65 NR3C1 (0.49) KMT2ANR3C2MEN1
SCHEMBL3404910 0.64 EPHX2 (0.45) KCNH2ADRB3

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
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 — — US claimed
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