SCHEMBL5748751

SCHEMBL5748751

CCCCCCCCc1ccnc(Nc2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
TRPV1 Q8NER1 4/20 0.35
KCNH2 Q12809 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RIOK2 Q9BVS4 1/20 0.33
MTNR1A P48039 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
SCHEMBL5749596 1.00 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDLPL
SCHEMBL5747295 1.00 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDLPL
SCHEMBL5750823 0.95 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDTRPV1
SCHEMBL5750843 0.91 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDRIOK2
SCHEMBL5748108 0.86 RIOK2 (0.44) KDM4EALDH1A1MAPTHPGDRIOK2
SCHEMBL5749407 0.85 TRPV1 (0.39) KDM4ELPLLIPGTRPV1KCNH2
SCHEMBL5746412 0.85 TRPV1 (0.39) KDM4ELPLLIPGTRPV1KCNH2
SCHEMBL5745759 0.85 TRPV1 (0.39) KDM4ELPLLIPGTRPV1KCNH2
SCHEMBL5750867 0.85 TRPV1 (0.41) KDM4EALDH1A1MAPTHPGDLPL
SCHEMBL5775211 0.83 MAPK10 (0.38) KDM4EMAPTLPLLIPGTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed