SCHEMBL14542005

SCHEMBL14542005

CCC(Oc1ccc(-c2noc(=O)[nH]2)c(OC)c1)c1sc(C2CCCCC2)nc1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 16/20 0.36
PDE7B Q9NP56 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR1 P30556 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL14541660 0.92 PDE7A (0.32) PDE7AAGTR1
SCHEMBL13343387 0.90 AGTR1 (0.34) MEN1KMT2AAGTR1
SCHEMBL3528907 0.90 AGTR1 (0.34) MEN1KMT2AAGTR1
SCHEMBL3525435 0.83 MDM2 (0.32) AGTR1
SCHEMBL14541899 0.83 PDE7A (0.36) PDE7APDE7BPDE4DTP53
SCHEMBL3529354 0.81 AGTR1 (0.34) AGTR1
SCHEMBL13343421 0.81 AGTR1 (0.34) AGTR1
SCHEMBL13343390 0.79 AGTR1 (0.32) AGTR1
SCHEMBL3530415 0.79 AGTR1 (0.32) AGTR1
SCHEMBL3527881 0.78 AGTR1 (0.34) MEN1KMT2AAGTR1

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-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed