SCHEMBL6817047

SCHEMBL6817047

C#CCOc1ccc(CCNC(=O)C(=NOC)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
GRK2 P25098 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
THRB P10828 1/20 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
SCHEMBL6817046 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6816621 0.92 ALDH1A1 (0.54) ALDH1A1MAPTPOLBHPGDSMN1; SMN2
SCHEMBL6816615 0.92 ALDH1A1 (0.54) ALDH1A1MAPTPOLBHPGDSMN1; SMN2
SCHEMBL6816514 0.91 GAA (0.56) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6816519 0.91 GAA (0.56) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544904 0.90 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6544900 0.90 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL343887 0.89 ALDH1A1 (0.62) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL343888 0.89 ALDH1A1 (0.62) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6816337 0.88 ALDH1A1 (0.58) ALDH1A1MAPTPOLBHPGDGRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP claimed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US claimed
EP-1140799-A1 NOVEL PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP claimed
WO-2000041998-A1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO claimed
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
WO-2002089757-A2 USE OF ISOFLAVONES IN COSMETIC OR DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2002-11-14 WO disclosed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US disclosed
EP-1140799-A1 NOVEL PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000041998-A1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed