SCHEMBL25592677

SCHEMBL25592677

C=CS(=O)(=O)c1cccc(N(CC)c2nc(F)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N\c5cc(S(=O)(=O)C=C)ccc5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ PRMT1 Q99873 2/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ ENPP2 Q13822 3/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ THRB P10828 2/20 0.31
▸ ALDH1A1 P00352 1/20 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
SCHEMBL15363308 0.93 FUT8 (0.48) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL20008529 0.90 FUT8 (0.46) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL881759 0.89 FUT8 (0.44) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL18801694 0.89 FUT8 (0.44) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL24019200 0.89 FUT8 (0.55) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL22861908 0.89 FUT8 (0.55) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL14149030 0.86 FUT8 (0.39) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL15363314 0.86 FUT8 (0.40) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL20008109 0.85 FUT8 (0.52) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL881777 0.85 FUT8 (0.52) FUT8PRMT1CYP1A2CYP2C9MAPK1

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-20230167304-A1 Mixture Of Reactive Dyes And Their Use For The Dyeing Or Printing Of Textile Fibre Materials HUNTSMAN TEXTILE EFFECTS (SWITZERLAND) GMBH (CH) 2023-06-01 — — US disclosed
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