SCHEMBL3670865

SCHEMBL3670865

CCc1ccc(O)c(N=Nc2ccc(NC(C)=O)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.70
AMY1A P0DUB6 8/20 0.60
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
AOC3 Q16853 1/20 0.45
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAOA P21397 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL23771217 0.84 RAB9A (0.67) THRBRAB9ANPC1MAPTLMNA
SCHEMBL29374972 0.82 THRB (1.00) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL108929 0.82 THRB (1.00) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL13820249 0.82 CA1 (0.58) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL108928 0.82 THRB (1.00) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL218723 0.78 THRB (0.68) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL15883590 0.77 THRB (0.68) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL26287689 0.77 FTO (0.63) RAB9ANPC1MAPTLMNAHPGD
SCHEMBL13820254 0.77 MAPT (0.45) THRBAMY1ARAB9ANPC1MAPT
SCHEMBL19272225 0.76 MAPT (0.85) THRBRAB9ANPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167030-A2 AGENTS COMPRISING AN ANTI-IRRITANT ACTIVE SUBSTANCE Henkel AG & Co. KGaA (DE) 2010-03-31 EP disclosed
EP-2081543-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S Henkel AG & Co. KGaA (DE) 2009-07-29 EP disclosed
WO-2009027237-A2 KIT FOR THE PROVISION OF COLORANTS HENKEL AG & CO. KGAA (DE) 2009-03-05 WO disclosed
WO-2009010367-A2 AGENTS COMPRISING AN ANTI-IRRITANT ACTIVE SUBSTANCE HENKEL AG & CO. KGAA (DE) 2009-01-22 WO disclosed
WO-2009010415-A2 AGENTS COMPRISING AN ANTI-IRRITANT ACTIVE SUBSTANCE HENKEL AG & CO. KGAA (DE) 2009-01-22 WO disclosed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO disclosed
WO-2008092529-A1 LIGHT EFFECT PIGMENTS COATED WITH POLYMER PARTICLES HENKEL AG & CO. KGAA (DE) 2008-08-07 WO disclosed
WO-2008092522-A1 COLOURING AGENTS CONTAINING LUMINESCENT PIGMENTS THAT CAN BE STIMULATED BY VISIBLE LIGHT HENKEL AG & CO. KGAA (DE) 2008-08-07 WO disclosed