SCHEMBL18801754

SCHEMBL18801754

CN(c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/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)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ FUT8 Q9BYC5 1/20 0.44
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ ENPP2 Q13822 7/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CHAT P28329 3/20 0.32
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA3 P07451 1/20 0.31

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
SCHEMBL18801985 0.95 FUT8 (0.45) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL18801522 0.92 THRB (0.47) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL24019221 0.90 FUT8 (0.41) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL14388939 0.89 THRB (0.55) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL16664577 0.89 FUT8 (0.51) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL16389050 0.88 FUT8 (0.44) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL14514299 0.85 FUT8 (0.54) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL13340562 0.85 THRB (0.43) THRBFUT8CARM1PRMT1ENPP2
SCHEMBL18801973 0.85 FUT8 (0.48) FUT8CARM1PRMT1ENPP2PHLPP2
SCHEMBL16624649 0.85 FUT8 (0.52) THRBFUT8CARM1PRMT1ENPP2

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-3752649-B1 PROCESS FOR THE SIMULTANEOUS TANNING AND DYEING OF COLLAGEN CONTAINING FIBROUS MATERIAL HUNTSMAN ADV MAT SWITZERLAND (CH) 2021-11-17 — — EP disclosed
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
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