SCHEMBL10754196

SCHEMBL10754196

CCNCC1CN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2C2(Cl)CC2)CC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
PMP22 Q01453 1/20 0.37
KCNH2 Q12809 4/20 0.33
POLB P06746 1/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
BRD4 O60885 1/20 0.30
TSHR P16473 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
SCHEMBL10866859 0.86 KCNH2 (0.41) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10751705 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10751178 0.79 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL10914785 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9540550 0.78 KCNH2 (0.50) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL10862782 0.78 KCNH2 (0.41) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8336517 0.77 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9539400 0.76 KCNH2 (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9537686 0.76 KCNH2 (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8559728 0.76 ALDH1A1 (0.52) ALDH1A1POLBOPRM1

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
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed