SCHEMBL14700338

SCHEMBL14700338

O=C(O)c1ccc(Nc2nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Nc6ccc(C(=O)O)cc6)nc(N(CCO)CCO)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)nc(N(CCO)CCO)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CFTR P13569 3/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ RHOA P61586 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PDE4B Q07343 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ TERT O14746 1/20 0.35
▸ PIN1 Q13526 2/20 0.35
▸ AURKA O14965 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL17550064 0.97 RHOA (0.43) NPC1RAB9ASMN1; SMN2CFTRENPP2
SCHEMBL16378694 0.95 CFTR (0.38) NPC1RAB9ASMN1; SMN2CFTRENPP2
SCHEMBL16303961 0.92 AURKA (0.44) CFTRCA1CA2CA9CA12
SCHEMBL15786997 0.92 RHOA (0.38) ENPP2CA1CA2CA9CA12
Calcofluor White SCHEMBL29352021 0.91 CA1 (0.40) ENPP2CA1CA2CA9CA12
Calcofluor White SCHEMBL790332 0.91 CA1 (0.40) ENPP2CA1CA2CA9CA12
Calcofluor White SCHEMBL29353351 0.91 CA1 (0.40) ENPP2CA1CA2CA9CA12
Calcofluor White SCHEMBL790333 0.91 CA1 (0.40) ENPP2CA1CA2CA9CA12
Calcofluor White SCHEMBL29392658 0.91 CA1 (0.40) ENPP2CA1CA2CA9CA12
Calcofluor White SCHEMBL5465530 0.90 CA1 (0.42) ENPP2CA1CA2CA9CA12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2557128-B1 Improved aqueous compositions for whitening and shading in coating applications CLARIANT INT LTD (CH) 2015-02-25 — — EP disclosed
EP-2478153-B1 DISULFO-TYPE FLUORESCENT WHITENING AGENT COMPOSITIONS BLANKOPHOR GMBH & CO KG (DE) 2014-12-17 — — EP disclosed
US-20140171560-A1 AQUEOUS COMPOSITIONS FOR WHITENING AND SHADING IN COATING APPLICATIONS ARCHROMA IP GMBH (CH) 2014-06-19 — — US disclosed
US-20130118698-A1 Method for Preparing White Paper CLARIANT FINANCE (BVI) LIMITED (VG) 2013-05-16 — — US disclosed
WO-2013020693-A1 IMPROVED AQUEOUS COMPOSITIONS FOR WHITENING AND SHADING IN COATING APPLICATIONS CLARIANT INTERNATIONAL LTD (CH) 2013-02-14 — — WO disclosed
EP-2557128-A1 Improved aqueous compositions for whitening and shading in coating applications Clariant International Ltd. (CH) 2013-02-13 — — EP disclosed
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