SCHEMBL5324555

SCHEMBL5324555

O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
GHSR Q92847 6/20 0.58
NUDT15 Q9NV35 1/20 0.54
F10 P00742 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FASN P49327 1/20 0.47

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
SCHEMBL5327115 0.83 GHSR (0.50) ATMGHSRNUDT15F10L3MBTL1
SCHEMBL5330111 0.83 ATM (0.54) ATMF10L3MBTL1SMN1; SMN2LMNA
SCHEMBL5326524 0.82 L3MBTL1 (0.54) ATMGHSRNUDT15F10L3MBTL1
SCHEMBL5193868 0.82 ATM (0.71) ATMF10L3MBTL1SMN1; SMN2LMNA
SCHEMBL5733762 0.82 F10 (0.72) ATMF10L3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6195419 0.81 ATM (0.69) ATMF10L3MBTL1SMN1; SMN2LMNA
SCHEMBL5324846 0.81 HRH3 (0.54) ATMGHSRNUDT15F10L3MBTL1
SCHEMBL6305660 0.80 ATM (0.68) ATMF10L3MBTL1SMN1; SMN2LMNA
SCHEMBL6734937 0.80 ATM (0.67) ATMF10L3MBTL1SMN1; SMN2LMNA
SCHEMBL6304930 0.79 F10 (0.69) ATMF10SMN1; SMN2LMNAGAA

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