SCHEMBL16838431

SCHEMBL16838431

C=CS(=O)(=O)c1ccccc1/N=N/c1c(NCS(=O)(=O)O)ccc2c(O)c(/N=N/c3cc(OC)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c(S(=O)(=O)O)cc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ ENPP2 Q13822 5/20 0.36
▸ PRMT1 Q99873 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MPL P40238 1/20 0.30
▸ PTPN1 P18031 2/20 0.30
▸ FUT8 Q9BYC5 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
SCHEMBL18675872 0.90 MPL (0.33) ENPP2PRMT1MPL
SCHEMBL16838425 0.87 PHLPP2 (0.41) PHLPP2ENPP2PRMT1MEN1ALDH1A1
SCHEMBL14388821 0.86 ENPP2 (0.41) PHLPP2ENPP2PRMT1MEN1ALDH1A1
SCHEMBL16838508 0.82 ENPP2 (0.38) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14346573 0.82 PTPN1 (0.40) PHLPP2ENPP2PRMT1MEN1ALDH1A1
SCHEMBL14388846 0.81 CD40 (0.39) ENPP2PRMT1MEN1ALDH1A1MAPK1
SCHEMBL14388763 0.81 CD40 (0.37) PHLPP2ENPP2MEN1ALDH1A1MAPK1
SCHEMBL16838440 0.81 ENPP2 (0.40) PHLPP2ENPP2PRMT1PTPN1
SCHEMBL14346733 0.81 ENPP2 (0.40) PHLPP2ENPP2PRMT1MEN1ALDH1A1
SCHEMBL14388760 0.80 CD40 (0.40) ENPP2PRMT1MEN1ALDH1A1MAPK1

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-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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