SCHEMBL9844994

SCHEMBL9844994

O=COC(=O)c1cn(C2CC2)c2c(F)c(N3CC4=C(CNC4)C3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
TOP2A P11388 6/20 0.43
TOP2B Q02880 6/20 0.43
ADRB2 P07550 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Formic Acid SCHEMBL9692677 0.87 TOP2A (0.53) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL9693064 0.87 TOP2A (0.57) KCNH2ALDH1A1POLBOPRM1KDM4E
Bromide SCHEMBL9845004 0.86 TOP2A (0.56) KCNH2ALDH1A1POLBOPRM1KDM4E
Hydrochloric Acid SCHEMBL9692567 0.86 TOP2A (0.56) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL9844989 0.83 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9693045 0.81 KCNH2 (0.53) KCNH2ALDH1A1POLBOPRM1KDM4E
Bromide SCHEMBL9736884 0.80 KCNH2 (0.53) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL9690836 0.76 TOP2A (0.58) KCNH2ALDH1A1POLBOPRM1KDM4E
Hydrochloric Acid SCHEMBL9693049 0.75 TOP2A (0.57) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL6776958 0.74 ADRB2 (0.59) KCNH2ALDH1A1POLBOPRM1KDM4E

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-0424850-A1 Quinolone compounds and a process for their preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1991-05-02 EP disclosed