SCHEMBL2492764

SCHEMBL2492764

O=C(OC(=O)C(F)(F)F)C(F)(F)F.OCc1ncc(C2OCCO2)cc1Cl.OCc1ncc(C2OCCO2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL334839 0.85 GLP1R (0.31) CYP11B1CYP11B2
SCHEMBL5021671 0.80 CYP11B1 (0.33) CYP11B1CYP11B2SLC22A12
SCHEMBL20489642 0.65 ALDH1A1 (0.35) HTTSMN1; SMN2MEN1KMT2ACYP11B1
SCHEMBL10179290 0.64 EGLN1 (0.41)
SCHEMBL10179150 0.64 DDB1 (0.48) SMN1; SMN2NPSR1MEN1KMT2AALDH1A1
SCHEMBL335593 0.63 CHRNB2 (0.38) RAB9ACYP11B1CYP11B2
SCHEMBL8542228 0.62
SCHEMBL8541963 0.62 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1722652 0.62 TDP1 (0.58) HTTRAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL8544532 0.60 KDM4E (0.40) HTTSMN1; SMN2NPSR1KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379554-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
WO-2010081874-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed