SCHEMBL5327658

SCHEMBL5327658

O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CCN(S(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
F10 P00742 4/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5323222 0.85 L3MBTL1 (0.47) L3MBTL1TDP1F10ATMMAPT
SCHEMBL5327115 0.84 GHSR (0.50) L3MBTL1TDP1F10ATMMAPT
SCHEMBL5330111 0.84 ATM (0.54) L3MBTL1TDP1F10ATMMAPT
SCHEMBL5296078 0.83 HRH3 (0.52) L3MBTL1TDP1F10ATMMAPT
SCHEMBL5093870 0.75 F10 (0.66) F10
SCHEMBL5323125 0.74 HRH3 (0.51) L3MBTL1TDP1F10MAPTLMNA
SCHEMBL5326485 0.73 ALDH1A1 (0.48) L3MBTL1F10ATMMAPTMEN1
SCHEMBL6151827 0.72 F10 (0.63) F10ATMMAPT
SCHEMBL5733653 0.70 F10 (0.57) F10ATM
SCHEMBL5327745 0.70 MAPT (0.52) L3MBTL1F10MAPTMEN1KMT2A

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