SCHEMBL9404763

SCHEMBL9404763

Nc1ccc(Cl)c(NCCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APEX1 P27695 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL11793898 0.83 TDP1 (0.66) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL21409271 0.81 TDP1 (0.62) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL30874166 0.81 TDP1 (0.62) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL30543603 0.81 APEX1 (0.63) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL9404784 0.81 ALDH1A1 (0.45) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL25338865 0.81 APEX1 (0.63) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL31306758 0.81 TDP1 (0.62) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL4826787 0.77 MAPT (0.51) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL4828295 0.77 MAPT (0.51) TDP1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL31055463 0.77 ALDH1A1 (0.44) TDP1HSD17B10ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed