SCHEMBL5327115

SCHEMBL5327115

O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CCN(S(=O)(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.50
NUDT15 Q9NV35 1/20 0.50
ATM Q13315 1/20 0.48
F10 P00742 8/20 0.47
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5327658 0.84 L3MBTL1 (0.42) ATMF10MAPTTDP1L3MBTL1
SCHEMBL5326524 0.84 L3MBTL1 (0.54) GHSRNUDT15ATMF10MAPT
SCHEMBL5324555 0.83 ATM (0.63) GHSRNUDT15ATMF10TDP1
SCHEMBL5324846 0.83 HRH3 (0.54) GHSRNUDT15ATMF10MAPT
SCHEMBL5327112 0.80 GHSR (0.49) GHSR
SCHEMBL5093870 0.75 F10 (0.66) F10
SCHEMBL6151827 0.74 F10 (0.63) ATMF10MAPTSMN1; SMN2
SCHEMBL5322343 0.72 ALDH1A1 (0.53) ATMF10MAPTL3MBTL1SMN1; SMN2
SCHEMBL6152077 0.72 F10 (0.63) ATMF10MAPTSMN1; SMN2
SCHEMBL5735457 0.70 F10 (0.58) ATMF10

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
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed