SCHEMBL5330111

SCHEMBL5330111

O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
L3MBTL1 Q9Y468 5/20 0.49
F10 P00742 3/20 0.47
LMNA P02545 2/20 0.46
LSS P48449 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL5327658 0.84 L3MBTL1 (0.42) ATML3MBTL1F10LMNATDP1
SCHEMBL5323222 0.83 L3MBTL1 (0.47) ATML3MBTL1F10LMNATDP1
SCHEMBL5324555 0.83 ATM (0.63) ATML3MBTL1F10LMNATDP1
SCHEMBL5296078 0.82 HRH3 (0.52) ATML3MBTL1F10TDP1MEN1
SCHEMBL5193868 0.80 ATM (0.71) ATML3MBTL1F10LMNALSS
Hydrochloric Acid SCHEMBL6195419 0.79 ATM (0.69) ATML3MBTL1F10LMNALSS
SCHEMBL4893575 0.77 F10 (0.68) F10LSSSMN1; SMN2
SCHEMBL5733762 0.76 F10 (0.72) ATML3MBTL1F10LMNASMN1; SMN2
SCHEMBL4884832 0.75 F10 (0.55) F10LMNALSSSMN1; SMN2MAPT
SCHEMBL1946614 0.75 L3MBTL1 (0.75) ATML3MBTL1LMNAMEN1KMT2A

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