SCHEMBL16626839

SCHEMBL16626839

COc1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(NC(C)=O)cc1Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c2O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.37
▸ ENPP2 Q13822 2/20 0.32
▸ PTK2 Q05397 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ P2RX5 Q93086 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ PRMT1 Q99873 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
SCHEMBL16624668 0.82 FUT8 (0.45) FUT8GAAKMT2AMAPTP2RX7
SCHEMBL13604278 0.79 FUT8 (0.35) FUT8ENPP2PTK2PRMT1CA2
SCHEMBL16624663 0.78 FUT8 (0.45) FUT8ALDH1A1KDM4EMAPTCASP1
SCHEMBL16624650 0.78 FUT8 (0.44) FUT8ENPP2KMT2AALDH1A1TDP1
SCHEMBL16624659 0.77 FUT8 (0.39) FUT8CA2
SCHEMBL16624646 0.77 PRMT1 (0.52) FUT8ENPP2PRMT1CA2CA3
SCHEMBL16626825 0.77 FUT8 (0.36) FUT8ENPP2
SCHEMBL16624653 0.76 FUT8 (0.41) FUT8ENPP2GAAPRMT1
SCHEMBL17327074 0.76 FUT8 (0.41) FUT8PTK2KMT2ATDP1P2RX2
SCHEMBL13341085 0.75 FUT8 (0.37) FUT8ENPP2ALDH1A1KDM4EMAPT

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
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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