SCHEMBL14967259

SCHEMBL14967259

CCOC(=O)c1c(N)nc(C(F)(F)F)c(Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
IDO1 P14902 1/20 0.44
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PDE4D Q08499 1/20 0.38
HTT P42858 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL9670057 0.87 KDM4E (0.44) KDM4ELMNAPKMIDO1HSD17B10
SCHEMBL14966437 0.83 KDM4E (0.44) KDM4ELMNAPKMIDO1HSD17B10
SCHEMBL14966297 0.79 KDM4E (0.41) KDM4ELMNAPKMIDO1HSD17B10
SCHEMBL10370416 0.78 KDM4E (0.48) KDM4ELMNAPKMIDO1RAB9A
SCHEMBL30867279 0.77 KDM4E (0.50) KDM4ELMNAPKMIDO1HSD17B10
SCHEMBL10370033 0.76 KDM4E (0.49) KDM4ELMNAPKMIDO1RAB9A
SCHEMBL2371732 0.76 KDM4E (0.50) KDM4ELMNAPKMIDO1RAB9A
SCHEMBL30206229 0.76 KDM4E (0.50) KDM4ELMNAPKMIDO1RAB9A
SCHEMBL14966788 0.76 RAB9A (0.45) KDM4ELMNAIDO1HSD17B10TP53
SCHEMBL10370830 0.75 KDM4E (0.55) KDM4ELMNAPKMIDO1HSD17B10

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-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed