SCHEMBL16838504

SCHEMBL16838504

CNc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)cc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.43
▸ ATIC P31939 2/20 0.38
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ ENPP2 Q13822 7/20 0.35
▸ MPL P40238 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL16838425 0.86 PHLPP2 (0.41) PHLPP2ENPP2MPLCYP1A2MEN1
SCHEMBL16838438 0.85 ENPP2 (0.38) PHLPP2ENPP2CYP1A2MEN1ALDH1A1
SCHEMBL16838464 0.85 ENPP2 (0.40) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL16838484 0.85 PHLPP2 (0.40) PHLPP2ENPP2MPLCYP1A2MEN1
SCHEMBL16838465 0.82 ENPP2 (0.40) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL16838421 0.81 PHLPP2 (0.39) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL16838437 0.81 PTPN1 (0.42) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL18684951 0.81 ENPP2 (0.39) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL16838463 0.81 PHLPP2 (0.42) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL18684967 0.80 ENPP2 (0.42) PHLPP2ENPP2MEN1ALDH1A1MAPT

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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