SCHEMBL5747005

SCHEMBL5747005

NC(=O)c1cccc2ncc[c]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.44
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK1A1 P48729 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
TYRO3 Q06418 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
IKBKB O14920 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
AURKA O14965 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL5750449 0.73 PARP1 (0.56) PARP1KDM4EL3MBTL1PLK4MAP4K4
SCHEMBL4292765 0.72 PARP1 (0.46) PARP1KDM4ECSNK1A1DYRK1BALDH1A1
SCHEMBL2606619 0.72 PARP1 (0.62) PARP1KDM4EL3MBTL1ALDH1A1HSD17B10
Water SCHEMBL28106109 0.70 PARP1 (0.61) PARP1KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL8221166 0.70 PARP1 (0.56) PARP1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL1804352 0.70 PARP1 (0.56) PARP1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL857633 0.69 MAPT (0.34) PARP1KDM4EALDH1A1MAPTPDGFRA
SCHEMBL4470271 0.69 ALDH1A1 (0.34) PARP1KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL5750689 0.69 TRIM24 (0.39) KDM4EL3MBTL1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL29266188 0.68 MAPT (0.33) PARP1KDM4EALDH1A1MAPTPDGFRA

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