SCHEMBL9357003

SCHEMBL9357003

Nc1nc(Cl)nc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.57
CHAT P28329 4/20 0.56
APEX1 P27695 3/20 0.56
USP2 O75604 2/20 0.56
ENPP3 O14638 1/20 0.55
ENPP1 P22413 1/20 0.55
P2RX2 Q9UBL9 2/20 0.52
P2RX7 Q99572 1/20 0.52
P2RY12 Q9H244 4/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
POLB P06746 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
RECQL P46063 3/20 0.45
TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL11320857 0.90 CHAT (0.51) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL11342346 0.87 CTDSP1 (0.47) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL15894776 0.86 CHAT (0.52) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL9360776 0.84 CHAT (0.59) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL2201232 0.84 ENPP2 (0.44) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL12935282 0.84 ENPP2 (0.44) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL12646669 0.83 HPGDS (0.46) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL4425719 0.83 CHAT (0.43) HPGDSCHATAPEX1USP2ENPP3
Calcium SCHEMBL2221866 0.83 CHAT (0.43) HPGDSCHATAPEX1USP2ENPP3
SCHEMBL2222351 0.83 CHAT (0.46) 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-0356014-B1 Reactive Dyes ZENECA LTD (GB) 1994-11-30 EP disclosed
EP-0356014-A1 Reactive Dyes ZENECA LIMITED (GB) 1990-02-28 EP disclosed