SCHEMBL14219663

SCHEMBL14219663

Cc1cc(Cc2cc(C)cc(C3(C)CCCCC3)c2N=O)c(N=O)c(C2(C)CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE7A Q13946 1/20 0.31

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
SCHEMBL13939083 0.92 GLA (0.59) GLATSHRALOX12NPSR1KMT2A
SCHEMBL39101 0.76 GLA (0.73) GLATSHRALOX12NPSR1KMT2A
SCHEMBL29464977 0.76 GLA (0.73) GLATSHRALOX12NPSR1KMT2A
SCHEMBL14557190 0.74 GLA (0.70) GLATSHRALOX12NPSR1KMT2A
SCHEMBL2498796 0.72 GLA (0.48) GLATSHRALOX12NPSR1KMT2A
SCHEMBL23221336 0.72 GLA (0.48) GLATSHRALOX12NPSR1KMT2A
SCHEMBL14432648 0.72 GLA (0.66) GLATSHRALOX12NPSR1KMT2A
SCHEMBL31176239 0.70 GLA (0.73) GLATSHRALOX12NPSR1KMT2A
SCHEMBL17546526 0.68 GLA (0.44) GLATSHRALOX12NPSR1KMT2A
SCHEMBL22215909 0.68 GLA (0.44) GLATSHRALOX12NPSR1KMT2A

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-1426815-B1 Photothermographic material FUJIFILM CORP (JP) 2008-04-02 EP disclosed