SCHEMBL1908351

SCHEMBL1908351

CC(C)(C)C1CCC1(OC(N)=O)c1ccc(-c2oc3ncc([N+](=O)[O-])cc3c2-c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
VCP P55072 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
LTB4R Q15722 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
SCHEMBL1907532 0.88 KMT2A (0.33) KMT2A
SCHEMBL12095371 0.83 AKT1 (0.34) EGFRMEN1KMT2A
SCHEMBL1900766 0.78 IP6K1 (0.38) MEN1KMT2A
SCHEMBL1908352 0.77 AKT1 (0.41) EGFR
SCHEMBL1905670 0.76 AKT1 (0.47)
SCHEMBL14118927 0.75 TACR3 (0.37) EGFRMEN1KMT2A
SCHEMBL14118930 0.75 TACR3 (0.37) EGFRMEN1KMT2A
SCHEMBL1899965 0.71 IDO1 (0.35)
SCHEMBL1904895 0.69 AKT1 (0.36) KMT2A
SCHEMBL3709808 0.67 AKT1 (0.38)

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed