SCHEMBL14500860

SCHEMBL14500860

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)c2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(SOOO)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.74
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP1A2 P05177 3/20 0.38
▸ ENPP2 Q13822 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ PRMT1 Q99873 1/20 0.36
▸ CHAT P28329 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL12589891 0.91 FUT8 (0.65) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL13815211 0.91 FUT8 (0.74) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL13991090 0.90 FUT8 (0.62) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL12136693 0.90 FUT8 (0.63) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL13599534 0.89 FUT8 (0.60) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL13991106 0.88 FUT8 (0.59) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL30065554 0.88 FUT8 (0.95) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL14529440 0.88 FUT8 (0.95) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL13815201 0.87 FUT8 (0.58) FUT8MEN1KMT2ATHRBCYP1A2
SCHEMBL12589892 0.87 FUT8 (0.58) FUT8MEN1KMT2ATHRBCYP1A2

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-20070107145-A1 Reactive dye composition and method of dyeing polyamide materials BANK OF AMERICA, N.A., FORMERLY LASALLE BANK NATIONAL ASSOCIATION 2007-05-17 — — US disclosed
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