SCHEMBL16557837

SCHEMBL16557837

Nc1c(N=Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4)n3)cc2)c(S(=O)(=O)O)cc2cccc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ ENPP2 Q13822 3/20 0.45
▸ CHAT P28329 3/20 0.42
▸ ENPP3 O14638 1/20 0.42
▸ ENPP1 P22413 1/20 0.42
▸ PRMT1 Q99873 2/20 0.42
▸ CARM1 Q86X55 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PRMT3 O60678 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL16557864 0.93 FUT8 (0.52) FUT8CA12CA1CA2CA9
SCHEMBL16557867 0.91 ENPP2 (0.45) FUT8CA12CA1CA2CA9
SCHEMBL16557841 0.86 THRB (0.48) FUT8CA12CA1CA2CA9
SCHEMBL17928436 0.86 ENPP2 (0.43) FUT8CA12CA1CA2CA9
SCHEMBL16557869 0.86 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL16557840 0.84 FUT8 (0.43) FUT8CA12CA1CA2CA9
SCHEMBL9999813 0.84 FUT8 (0.63) FUT8CA12CA1CA2CA9
SCHEMBL16557845 0.83 SENP2 (0.49) FUT8CA12CA1CA2CA9
SCHEMBL16557831 0.82 ENPP2 (0.57) ENPP2PRMT1USP2PHLPP2PRMT3
SCHEMBL9999814 0.81 FUT8 (0.60) FUT8CA12CA1CA2CA9

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-9394445-B2 Method for continuously preparing water-soluble azo dye by coupling a nebulizer with a pipeline DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2016-07-19 — — US disclosed
US-20150073132-A1 METHOD FOR CONTINUOUSLY PREPARING WATER-SOLUBLE AZO DYE BY COUPLING A NEBULIZER WITH A PIPELINE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-12 — — US disclosed
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