SCHEMBL8418569

SCHEMBL8418569

Nc1cc(Nc2nc(Cl)nc(Cl)n2)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
CHAT P28329 3/20 0.42
APEX1 P27695 2/20 0.42
USP2 O75604 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 1/20 0.40
P2RY12 Q9H244 4/20 0.39
P2RY2 P41231 4/20 0.39
P2RX2 Q9UBL9 2/20 0.39
P2RX7 Q99572 1/20 0.39
TSHR P16473 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
P2RY4 P51582 3/20 0.37
P2RY6 Q15077 2/20 0.37
FUT8 Q9BYC5 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
SCHEMBL11201158 0.94 HPGDS (0.47) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL8019327 0.89 TSHR (0.43) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL8032296 0.88 HPGDS (0.46) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL11204629 0.81 HPGDS (0.46) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL8571318 0.78 CA12 (0.52) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL10393821 0.78 CA12 (0.52) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL4104068 0.77 CA12 (0.47) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL11434810 0.77 CA12 (0.40) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL30268659 0.77 CHAT (0.52) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL114494 0.77 CHAT (0.52) HPGDSCHATAPEX1USP2ENPP3

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-0625551-B1 Mixtures of dyes, process for their preparation and the use thereof CIBA GEIGY AG (CH) 1999-09-29 EP disclosed
EP-0625551-A1 Mixtures of dyes, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1994-11-23 EP disclosed