SCHEMBL6454767

SCHEMBL6454767

CNS(=O)(=O)CCc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
KAT6A Q92794 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAPK14 Q16539 1/20 0.42
PBRM1 Q86U86 1/20 0.41
STS P08842 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL688533 0.82 L3MBTL1 (0.53) L3MBTL1ATMTDP1KAT6ACA1
SCHEMBL6458447 0.81 NPC1 (0.53) L3MBTL1HPGDKAT6AMMP1MMP7
SCHEMBL687746 0.81 L3MBTL1 (0.52) L3MBTL1ATMTDP1KAT6ACA1
SCHEMBL687745 0.79 ATM (0.50) L3MBTL1ATMTDP1KAT6ACA1
SCHEMBL6793104 0.79 IDO1 (0.59) L3MBTL1ATMLMNACA1CA2
SCHEMBL6461535 0.79 MEN1 (0.47) L3MBTL1MMP1MMP7MMP8MMP12
SCHEMBL28896685 0.77 NPC1 (0.51) L3MBTL1HPGDCA1CA2
SCHEMBL27326765 0.75 L3MBTL1 (0.57) L3MBTL1ATMTDP1CYP19A1PBRM1
SCHEMBL6471185 0.75 PTGS1 (0.48) L3MBTL1ATMTDP1LMNAHPGD
SCHEMBL4669025 0.75 TDP1 (0.61) L3MBTL1ATMTDP1CYP4F2CYP4A11

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
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed