SCHEMBL5751216

SCHEMBL5751216

Nc1cccc2cc3cc(C=O)ccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TDP2 O95551 1/20 0.41
CASP6 P55212 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLK1 P06870 1/20 0.40
PRSS1 P07477 1/20 0.40
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL5746401 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL29951355 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL29951748 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL9098394 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL17422071 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL17422067 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL5012440 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL5008737 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL4924420 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL29391698 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1POLBKMT2A

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