SCHEMBL4657647

SCHEMBL4657647

NS(=O)(=O)c1ccccc1Oc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.55
CA2 P00918 8/20 0.55
CA9 Q16790 8/20 0.55
CA1 P00915 7/20 0.55
CA14 Q9ULX7 3/20 0.54
P2RX4 Q99571 1/20 0.51
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.42
CYP19A1 P11511 1/20 0.41
SOS1 Q07889 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL6820777 0.84 LMNA (0.46) CA12CA2CA9CA1CA14
SCHEMBL569758 0.81 SOS1 (0.55) CA12CA2CA9CA1CA14
SCHEMBL3717532 0.79 CA12 (0.47) CA12CA2CA9CA1CA14
SCHEMBL10529086 0.77 CA2 (0.54) CA12CA2CA9CA1CA14
SCHEMBL11478665 0.75 LMNA (0.53) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL5318974 0.75 LMNA (0.53) CA2CA1LMNATDP1ALDH1A1
SCHEMBL5332097 0.75 LMNA (0.53) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL32664452 0.75 HTR1A (0.55) CA12CA2CA9CA1CA14
SCHEMBL10622816 0.75 HTR1A (0.55) CA12CA2CA9CA1CA14
SCHEMBL3717535 0.73 ALDH1A1 (0.62) LMNATDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999121-A1 NOVEL TETRALINS AS 5-HT6 MODULATORS AstraZeneca AB (SE) 2008-12-10 EP claimed
WO-2007108742-A1 NOVEL TETRALINS AS 5-HT6 MODULATORS ASTRAZENECA AB (SE) 2007-09-27 WO claimed
EP-1999121-A1 NOVEL TETRALINS AS 5-HT6 MODULATORS AstraZeneca AB (SE) 2008-12-10 EP disclosed
WO-2007108742-A1 NOVEL TETRALINS AS 5-HT6 MODULATORS ASTRAZENECA AB (SE) 2007-09-27 WO disclosed