SCHEMBL4789288

SCHEMBL4789288

CS(=O)(=O)N(c1cccc2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c12)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 5/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MCL1 Q07820 1/20 0.38
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
PER2 O15055 1/20 0.36
HTT P42858 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL28888793 0.70 HTR6 (0.41) ALDH1A1KMT2AHTTC5AR1HTR6
SCHEMBL31689520 0.70 CRY1 (0.49) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL12330758 0.70 CRY1 (0.49) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL5966749 0.70 KMT2A (0.36) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL5317921 0.70 GAA (0.41) GAAALDH1A1KMT2AHPGDPER2
SCHEMBL6285846 0.69 MAPT (1.00) MAPTKDM4EGAAALDH1A1MCL1
SCHEMBL28279 0.69 MAPT (1.00) MAPTKDM4EGAAALDH1A1MCL1
SCHEMBL29363940 0.69 MAPT (1.00) MAPTKDM4EGAAALDH1A1MCL1
SCHEMBL1509330 0.68 KDM4E (0.56) MAPTKDM4EGAAALDH1A1CES2
SCHEMBL29851883 0.68 KDM4E (0.56) MAPTKDM4EGAAALDH1A1CES2

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-1928887-A1 METHODS OF PREPARING QUINOLONE ANALOGS Cylene Pharmaceuticals, Inc. (US) 2008-06-11 EP claimed
WO-2007019295-A1 METHODS OF PREPARING QUINOLONE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed