SCHEMBL6987681

SCHEMBL6987681

NS(=O)(=O)c1ccc(OCC2(Sc3ccccc3)CCCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
DOT1L Q8TEK3 1/20 0.41
MAPT P10636 8/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BCL2L1 Q07817 1/20 0.40
CA2 P00918 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
VCAM1 P19320 1/20 0.38
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 3/20 0.35
PKM P14618 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL2949559 0.78 BCL2L1 (0.56) BCL2L1
SCHEMBL25415098 0.78 CA2 (0.46) POLBDOT1LMAPTALDH1A1CA2
SCHEMBL25417577 0.76 LMNA (0.44) POLBMAPTTDP1ALDH1A1CA2
SCHEMBL18690053 0.72 MAPT (0.39) POLBMAPTALDH1A1CA2CA12
SCHEMBL21331190 0.72 MAPT (0.50) POLBDOT1LMAPTTDP1ALDH1A1
SCHEMBL1700214 0.71 LMNA (0.51) POLBMAPTALDH1A1CA2CA12
SCHEMBL523821 0.71 LMNA (0.48) POLBDOT1LMAPTALDH1A1CA2
SCHEMBL1700634 0.71 CA2 (0.43) POLBDOT1LMAPTTDP1ALDH1A1
SCHEMBL29482089 0.71 LMNA (0.48) POLBDOT1LMAPTALDH1A1CA2
SCHEMBL1700142 0.71 CA2 (0.43) POLBDOT1LMAPTTDP1ALDH1A1

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed