SCHEMBL5324846

SCHEMBL5324846

Cn1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc[nH]c5c4)CC3)cc2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
NUDT15 Q9NV35 1/20 0.50
GHSR Q92847 7/20 0.48
F10 P00742 7/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL5296078 0.85 HRH3 (0.52) HRH3F10ATMTDP1L3MBTL1
SCHEMBL5323125 0.84 HRH3 (0.51) HRH3F10TDP1L3MBTL1MAPT
SCHEMBL5326524 0.84 L3MBTL1 (0.54) NUDT15GHSRF10ATML3MBTL1
SCHEMBL5327115 0.83 GHSR (0.50) NUDT15GHSRF10ATMTDP1
SCHEMBL5324555 0.81 ATM (0.63) NUDT15GHSRF10ATMTDP1
SCHEMBL5090977 0.77 F10 (0.68) HRH3F10
SCHEMBL4882732 0.76 LSS (0.47) HRH3F10L3MBTL1
SCHEMBL5322343 0.72 ALDH1A1 (0.53) F10ATML3MBTL1MAPT
SCHEMBL1639565 0.71 HRH3 (1.00) HRH3
SCHEMBL6152253 0.69 F10 (0.65) F10ATMMAPT

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