SCHEMBL16838438

SCHEMBL16838438

CNc1ccc2c(O)c(/N=N/c3cc(OC)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CD40 P25942 1/20 0.34

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 0.93 ENPP2 (0.40) ENPP2PHLPP2MEN1ALDH1A1POLB
SCHEMBL16838465 0.91 ENPP2 (0.40) ENPP2PHLPP2MEN1ALDH1A1MAPT
SCHEMBL16838421 0.90 PHLPP2 (0.39) ENPP2PHLPP2MEN1ALDH1A1MAPT
SCHEMBL16838444 0.89 GAA (0.36) ENPP2MEN1ALDH1A1POLBMAPT
SCHEMBL16838425 0.89 PHLPP2 (0.41) ENPP2PHLPP2MEN1ALDH1A1POLB
SCHEMBL18684951 0.88 ENPP2 (0.39) ENPP2PHLPP2MEN1ALDH1A1MAPT
SCHEMBL16838484 0.88 PHLPP2 (0.40) ENPP2PHLPP2MEN1ALDH1A1POLB
SCHEMBL18684945 0.87 PTPN1 (0.41) ENPP2PHLPP2MEN1ALDH1A1MAPT
SCHEMBL16838437 0.87 PTPN1 (0.42) ENPP2PHLPP2MEN1ALDH1A1POLB
SCHEMBL16838463 0.86 PHLPP2 (0.42) ENPP2PHLPP2MEN1ALDH1A1MAPT

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
WO-2017050597-A1 MIXTURES OF FIBRE-REACTIVE DYES DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-03-30 — — WO disclosed
US-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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