SCHEMBL9689318

SCHEMBL9689318

CN(C)c1cccc2[nH]cc(C(=O)O)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 2/20 0.46
ADRB2 P07550 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
PIM3 Q86V86 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NR4A2 P43354 1/20 0.40
HTT P42858 1/20 0.40
MDH2 P40926 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL397484 0.81 CYP1A2 (0.56) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL2309708 0.80 HSD17B10 (0.55) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL2971998 0.77 CYP1A2 (0.55) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL395847 0.77 KDM4E (0.62) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL1353154 0.73 CYP1A2 (0.51) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL2003960 0.73 GAA (0.58) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL7179869 0.71 CYP1A2 (0.43) CYP1A2HSD17B10HTT
SCHEMBL3995494 0.71 GPR84 (0.51) CYP1A2HSD17B10KDM4EMEN1KMT2A
SCHEMBL24328929 0.70 SMN1; SMN2 (0.57) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL377150 0.69 CFTR (0.67) CYP1A2HSD17B10KDM4EMEN1KMT2A

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-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed