SCHEMBL16626837

SCHEMBL16626837

Cc1cc(Nc2nc(Cl)nc(Cc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.37
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ENPP2 Q13822 4/20 0.32
▸ P2RX5 Q93086 2/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA12 O43570 3/20 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
SCHEMBL14693200 0.80 CHAT (0.38) FUT8P2RX2MAPTP2RX7TDP1
SCHEMBL14693000 0.79 CA9 (0.42) FUT8CA12CA1CA2CA9
SCHEMBL15985956 0.78 ENPP2 (0.48) FUT8CARM1PRMT1ALDH1A1HIF1A
SCHEMBL16624668 0.77 FUT8 (0.45) FUT8CARM1PRMT1P2RX2MAPT
SCHEMBL15985961 0.76 ENPP2 (0.48) FUT8CARM1PRMT1ALDH1A1HIF1A
SCHEMBL16624663 0.76 FUT8 (0.45) FUT8CARM1PRMT1ALDH1A1P2RX5
SCHEMBL15986018 0.75 FUT8 (0.43) FUT8CARM1PRMT1ENPP2P2RX2
SCHEMBL17327072 0.74 ATIC (0.49) FUT8CARM1PRMT1ENPP2CA12
SCHEMBL14546956 0.74 FUT8 (0.41) FUT8CA12CA1CA2CA9
SCHEMBL15985955 0.74 SENP2 (0.48) FUT8CARM1PRMT1ENPP2CA12

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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