SCHEMBL7913409

SCHEMBL7913409

CCCOc1cc2c(c3c(=O)c(C4C=CSC4)c(C)[nH]c13)CCC2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
PLA2G1B P04054 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL2584737 0.75 BRD4 (0.34) PARP1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL2461954 0.73 BRD4 (0.47) KDM4EALDH1A1MAPTNPSR1
SCHEMBL2464368 0.71 BRD4 (0.44) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL7910808 0.69 KDM4E (0.34) PARP1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL2587071 0.64 KDM4E (0.37) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL2465486 0.64 KDM4E (0.38) PARP1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL2462305 0.62 KDM4E (0.39) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL9621241 0.57 HSD17B1 (0.45) NPSR1
SCHEMBL2461981 0.55 HTR2A (0.42) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL2463055 0.55 MAPT (0.50) KDM4EALDH1A1TSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed