SCHEMBL5748811

SCHEMBL5748811

N#Cc1ccc2ccc3[c]ccc4ccc1c2c34

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL5749237 1.00 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL5749410 0.83 CYP1A2 (0.37) KDM4EALDH1A1GAAMAPT
SCHEMBL16561395 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPT
SCHEMBL5750539 0.79 ALDH1A1 (0.37) KDM4EALDH1A1GAAMAPT
SCHEMBL578387 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1046484 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5746158 0.74 KDM4E (0.39) KDM4EALDH1A1GAAMAPT
SCHEMBL5747214 0.74 ALDH1A1 (0.37) KDM4EALDH1A1GAAMAPT
SCHEMBL5748360 0.74 ALDH1A1 (0.55) ALDH1A1
SCHEMBL5746196 0.74 ALDH1A1 (0.55) ALDH1A1

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