SCHEMBL20008529

SCHEMBL20008529

C=CS(=O)(=O)c1cccc(N(CC)c2nc(F)nc(Nc3ccc(S(=O)(=O)O)c(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(NC(=O)CC)c5c4O)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.46
▸ ENPP2 Q13822 6/20 0.38
▸ PRMT1 Q99873 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30
▸ 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
SCHEMBL18232553 0.94 FUT8 (0.45) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL15363308 0.91 FUT8 (0.48) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL25592677 0.90 FUT8 (0.49) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL881759 0.88 FUT8 (0.44) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL18801694 0.88 FUT8 (0.44) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL20008102 0.88 FUT8 (0.45) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL15363314 0.85 FUT8 (0.40) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL14149030 0.85 FUT8 (0.39) FUT8ENPP2PRMT1CYP1A2CYP2C9
SCHEMBL14134395 0.81 FUT8 (0.36) FUT8PRMT1
SCHEMBL24019200 0.81 FUT8 (0.55) FUT8ENPP2PRMT1CYP1A2CYP2C9

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
Send feedback