SCHEMBL14518052

SCHEMBL14518052

Cc1ccc(-c2ccc(C3CCC(c4nnc(-c5ccc(C)cc5)o4)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.61
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
ALDH1A1 P00352 4/20 0.53
ALOX15B O15296 1/20 0.52
MAPT P10636 5/20 0.51
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL19428321 0.92 CA1 (0.60) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL9918916 0.91 LRRK2 (0.53) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL9918915 0.89 ALDH1A1 (0.53) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL20134808 0.82 ALDH1A1 (0.52) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL9921897 0.77 ALDH1A1 (0.46) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL25340904 0.76 CA1 (0.65) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL31237065 0.76 ALDH1A1 (0.78) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL9922331 0.75 ALDH1A1 (0.47) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL23571715 0.75 ALDH1A1 (0.59) LRRK2CA1CA2ALDH1A1ALOX15B
SCHEMBL19427972 0.75 POLB (0.62) CA1CA2ALDH1A1ALOX15BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208234-B2 Organic EL element and method of manufacturing the same, organic EL display device using the element, organic EL material, and surface emission device and liquid crystal display device using the material FUJITSU LIMITED (JP) 2007-04-24 US disclosed