SCHEMBL9523449

SCHEMBL9523449

CCOC(=O)c1c2n(c3cc(N4CCN(C(C)=O)CC4)c(Cl)cc3c1=O)CS2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
MAPT P10636 6/20 0.38
P2RY12 Q9H244 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
IDE P14735 1/20 0.34

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
SCHEMBL9523083 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL9522257 0.84 LMNA (0.44) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL9523291 0.79 KDM4E (0.51) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL10744715 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL9523609 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL9522474 0.77 KDM4E (0.50) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL9525764 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL10982068 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL9522013 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL9523430 0.73 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed