SCHEMBL13715874

SCHEMBL13715874

[2H]N=Nc1c(S(=O)(=O)O)cc2cc(Nc3nc(Cl)nc(Nc4ccc(SOOO)c(C)c4)n3)ccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ FUT8 Q9BYC5 1/20 0.39
▸ ENPP2 Q13822 9/20 0.36
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PHLPP2 Q6ZVD8 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
SCHEMBL13715817 0.88 FUT8 (0.46) PRMT1CARM1FUT8
SCHEMBL14016046 0.83 FUT8 (0.34) PRMT1CARM1FUT8CA12CA1
SCHEMBL13387112 0.80 MAPT (0.39) PRMT1CARM1FUT8CA12CA1
SCHEMBL14578577 0.79 PRMT1 (0.42) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL14585738 0.74 CA9 (0.42) CA12CA1CA2CA9
SCHEMBL14578748 0.73 PRMT1 (0.41) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL14084613 0.73 PRMT1 (0.43) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL13387299 0.73 FUT8 (0.43) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL13387399 0.72 PRMT1 (0.42) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL13881048 0.71 PRMT1 (0.57) PRMT1CARM1FUT8ENPP2PRMT3

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-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 — — US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 — — US disclosed
Send feedback