SCHEMBL18633525

SCHEMBL18633525

O=[SH](=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5cc4S(=O)(=O)O)c4cccc(S(=O)(=O)O)c34)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ THRB P10828 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ FUT8 Q9BYC5 1/20 0.53
▸ CHAT P28329 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ SNCA P37840 2/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ NR4A1 P22736 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ DNASE1L3 Q13609 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ CCNA2 P20248 1/20 0.34

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
SCHEMBL18633526 0.91 MEN1 (0.54) MEN1THRBKMT2AFUT8CHAT
SCHEMBL14217797 0.89 MEN1 (0.52) MEN1THRBKMT2AFUT8CHAT
SCHEMBL13724001 0.88 MEN1 (0.53) MEN1THRBKMT2AFUT8CHAT
SCHEMBL14494873 0.88 FUT8 (0.43) MEN1THRBKMT2AFUT8CHAT
SCHEMBL18633384 0.86 MEN1 (0.47) MEN1THRBKMT2AFUT8CHAT
SCHEMBL13723654 0.82 KMT2A (0.47) MEN1THRBKMT2AFUT8CHAT
SCHEMBL14494794 0.82 ENPP2 (0.40) MEN1THRBKMT2AFUT8ENPP2
SCHEMBL18633387 0.80 ENPP2 (0.47) MEN1THRBKMT2AFUT8SNCA
SCHEMBL15362445 0.77 FUT8 (0.58) MEN1THRBKMT2AFUT8CHAT
SCHEMBL18633385 0.77 SNCA (0.48) MEN1THRBKMT2AFUT8CHAT

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-2061844-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-03-15 — — EP disclosed
Send feedback