SCHEMBL669761

SCHEMBL669761

[CH]c1c(Br)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
EPAS1 Q99814 1/20 0.36
NOTUM Q6P988 4/20 0.33
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
HSD11B1 P28845 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL669762 1.00 P2RX7 (0.42) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL669763 0.75 P2RX7 (0.42) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL18935992 0.75 P2RX7 (0.38) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL29434877 0.74 P2RX7 (0.53) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL1410137 0.74 P2RX7 (0.53) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL10974687 0.72 EPAS1 (0.37) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL30053746 0.72 EPAS1 (0.37) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL18797703 0.71 TNF (0.33)
SCHEMBL18797704 0.71 TNF (0.33)
SCHEMBL23846815 0.71 TDP1 (0.39) P2RX7EPAS1

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed