SCHEMBL20008104

SCHEMBL20008104

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(F)nc(Nc5cccc(S(=O)(=O)CCOS(=O)(=O)O)c5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.50
▸ ENPP2 Q13822 8/20 0.41
▸ PRMT1 Q99873 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ THRB P10828 2/20 0.35
▸ PRMT3 O60678 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.32

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
SCHEMBL13880689 0.87 FUT8 (0.57) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL15363306 0.84 FUT8 (0.57) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL13880674 0.83 FUT8 (0.65) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL12173026 0.81 FUT8 (0.74) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL13880703 0.81 PRMT1 (0.48) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL13880682 0.81 ENPP2 (0.61) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL14388839 0.80 THRB (0.56) FUT8ENPP2PRMT1CYP1A2THRB
SCHEMBL4991193 0.80 PRMT1 (0.48) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL4991205 0.80 PRMT1 (0.48) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL13599566 0.80 FUT8 (0.51) FUT8ENPP2PRMT1THRBMEN1

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
US-20180086918-A1 MIXTURES OF REACTIVE DYES AND THEIR USE FOR THE DYING OR PRINTING FIBRE MATERIALS HUNTSMAN INTERNATIONAL LLC 2018-03-29 — — US disclosed
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