SCHEMBL5024894

SCHEMBL5024894

c1ccc(CNCCN2CCCC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.76
▸ ALOX15 P16050 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ DPP7 Q9UHL4 1/20 0.59
▸ CHRM2 P08172 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.50
▸ CXCR4 P61073 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ SCN8A Q9UQD0 1/20 0.46
▸ NTRK3 Q16288 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL5028870 0.98 ALDH1A1 (0.74) ALDH1A1ALOX15TSHRL3MBTL1DPP7
SCHEMBL15995479 0.91 ALDH1A1 (0.64) ALDH1A1ALOX15TSHRL3MBTL1DPP7
SCHEMBL5024742 0.87 L3MBTL1 (1.00) ALDH1A1ALOX15TSHRL3MBTL1DPP7
SCHEMBL16293831 0.87 CHRM2 (0.65) ALDH1A1ALOX15TSHRL3MBTL1DPP7
SCHEMBL5013030 0.87 ALDH1A1 (0.71) ALDH1A1ALOX15TSHRL3MBTL1CHRM2
SCHEMBL31232707 0.84 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRL3MBTL1CHRM2
SCHEMBL31232857 0.84 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRL3MBTL1DPP7
SCHEMBL27550786 0.82 L3MBTL1 (0.64) ALDH1A1ALOX15TSHRL3MBTL1DPP7
SCHEMBL31232811 0.80 ALDH1A1 (0.62) ALDH1A1ALOX15TSHRL3MBTL1CHRM2
SCHEMBL31232859 0.80 ALDH1A1 (0.62) ALDH1A1ALOX15TSHRL3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335629-B2 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-26 — — US claimed
EP-1456337-B1 USE OF SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KGAA (DE) 2007-01-24 — — EP claimed
EP-1531193-A2 Method for deoyxgenating water Henkel Kommanditgesellschaft auf Aktien (DE) 2005-05-18 — — EP claimed
US-20040266641-A1 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL AG & CO. KGAA (DE) 2004-12-30 — — US claimed
EP-1456337-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 — — EP claimed
WO-2003054128-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 — — WO claimed
US-7335629-B2 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-26 — — US disclosed
US-7335629-B2 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-26 — — US disclosed
EP-1456337-B1 USE OF SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KGAA (DE) 2007-01-24 — — EP disclosed
EP-1531193-A2 Method for deoyxgenating water Henkel Kommanditgesellschaft auf Aktien (DE) 2005-05-18 — — EP disclosed
EP-1456337-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 — — EP disclosed
WO-2003054128-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 — — WO disclosed
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