SCHEMBL18801522

SCHEMBL18801522

CN(c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2cc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)c(N)c4c3O)c(S(=O)(=O)O)cc2S(=O)(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ FUT8 Q9BYC5 1/20 0.41
▸ ENPP2 Q13822 6/20 0.38
▸ PRMT1 Q99873 2/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHAT P28329 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL18801754 0.92 THRB (0.47) THRBFUT8ENPP2PRMT1CA2
SCHEMBL18801985 0.88 FUT8 (0.45) THRBFUT8ENPP2PRMT1CA2
SCHEMBL24019221 0.84 FUT8 (0.41) THRBFUT8ENPP2PRMT1CA2
SCHEMBL13880619 0.84 THRB (0.53) THRBFUT8ENPP2PRMT1CA2
SCHEMBL14983602 0.82 FUT8 (0.48) THRBFUT8ENPP2PRMT1CA2
SCHEMBL16389050 0.81 FUT8 (0.44) THRBFUT8ENPP2PRMT1CA2
SCHEMBL14388939 0.80 THRB (0.55) THRBFUT8ENPP2PRMT1CA2
SCHEMBL16664577 0.80 FUT8 (0.51) THRBFUT8ENPP2PRMT1CARM1
SCHEMBL16624649 0.78 FUT8 (0.52) THRBFUT8ENPP2PRMT1CA2
SCHEMBL18801973 0.77 FUT8 (0.48) FUT8ENPP2PRMT1CA2CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536791-B1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-05-03 — — EP disclosed
Send feedback