SCHEMBL16838437

SCHEMBL16838437

CNc1ccc2c(O)c(/N=N/c3cc(C)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.42
▸ ENPP2 Q13822 9/20 0.40
▸ THRB P10828 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PRMT3 O60678 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL16838464 0.94 ENPP2 (0.40) PTPN1ENPP2THRBCA2CA3
SCHEMBL14388945 0.93 PTPN1 (0.42) PTPN1ENPP2THRBPHLPP2CD40
SCHEMBL18684952 0.91 ENPP2 (0.41) PTPN1ENPP2THRBPHLPP2PRMT1
SCHEMBL16838463 0.91 PHLPP2 (0.42) PTPN1ENPP2THRBCA2CA3
SCHEMBL16838433 0.89 ENPP2 (0.42) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838442 0.88 PTPN1 (0.36) PTPN1ENPP2THRBCA2CA3
SCHEMBL16838465 0.88 ENPP2 (0.40) PTPN1ENPP2THRBCA2CA3
SCHEMBL18684967 0.87 ENPP2 (0.42) PTPN1ENPP2THRBCA2CA3
SCHEMBL16838421 0.87 PHLPP2 (0.39) PTPN1ENPP2THRBCA2CA3
SCHEMBL16838438 0.87 ENPP2 (0.38) PTPN1ENPP2THRBPHLPP2CD40

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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