SCHEMBL5866740

SCHEMBL5866740

O=c1ccc2ccc(S(=O)(=O)Cl)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.52
CA9 Q16790 8/20 0.52
CA1 P00915 7/20 0.52
KDM4E B2RXH2 6/20 0.52
GLA P06280 5/20 0.52
GAA P10253 4/20 0.52
HSD17B10 Q99714 4/20 0.52
MCL1 Q07820 4/20 0.52
ALDH1A1 P00352 4/20 0.52
AKR1B1 P15121 3/20 0.52
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
STS P08842 1/20 0.50
MAOB P27338 2/20 0.49
CA4 P22748 5/20 0.47

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
SCHEMBL2799834 0.87 SMN1; SMN2 (0.56) CA12CA9HSD17B10MCL1ALDH1A1
SCHEMBL5866898 0.81 GLA (0.58) CA12CA9CA1KDM4EGLA
SCHEMBL4927293 0.77 CA12 (0.47) CA12CA9CA1KDM4EGLA
SCHEMBL22531865 0.76 CHRM2 (0.42) CA12KDM4EHSD17B10ALDH1A1TDP1
SCHEMBL5539713 0.74 CA12 (0.61) CA12CA9CA1KDM4EGLA
Coumarin SCHEMBL29043446 0.73 CA12 (0.80) CA12CA9CA1KDM4EGLA
SCHEMBL27791959 0.73 CA12 (0.46) CA12CA9CA1KDM4EGLA
SCHEMBL30357699 0.73 LMNA (0.48) CA9CA1HSD17B10ALDH1A1TDP1
SCHEMBL2263563 0.73 LMNA (0.48) CA9CA1HSD17B10ALDH1A1TDP1
SCHEMBL11036186 0.72 CA12 (0.59) CA12CA9CA1KDM4EGLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541645-B1 Water soluble colorants for ink jet printing PITNEY BOWES INC (US) 2014-08-20 EP disclosed
US-7153350-B2 Water soluble colorants for ink jet printing PITNEY BOWES INC. (US) 2006-12-26 US disclosed
US-20050126432-A1 Water soluble colorants for ink jet printing PITNEY BOWES INC. (US) 2005-06-16 US disclosed
EP-1541645-A1 Water soluble colorants for ink jet printing PITNEY BOWES INC. (US) 2005-06-15 EP disclosed