SCHEMBL6209327

SCHEMBL6209327

C=C(C)C(=O)CCN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MMP14 P50281 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGS2 P35354 6/20 0.43
PTGS1 P23219 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
APP P05067 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
FBP1 P09467 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP19A1 P11511 2/20 0.40
APEX1 P27695 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL6209324 1.00 MAPT (0.50) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL9682336 0.85 MMP14 (0.68) MAPTMMP14MEN1KMT2ANPC1
SCHEMBL6046910 0.83 MAPT (0.46) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL6046909 0.83 MAPT (0.46) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL3038698 0.81 MAPT (0.57) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL3038695 0.81 MAPT (0.57) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL20493467 0.81 MMP14 (0.73) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL6046907 0.81 PTGS2 (0.44) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL6046908 0.81 PTGS2 (0.44) MAPTMMP14MEN1KMT2APTGS2
SCHEMBL9638174 0.80 PTGS2 (0.45) MAPTMMP14MEN1KMT2APTGS2

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
WO-2005101396-A1 OPTICAL STORAGE MATERIALS FOR HOLOGRAPHIC RECORDING, METHODS OF MAKING THE STORAGE MATERIALS, AND METHODS FOR STORING AND READING DATA GENERAL ELECTRIC COMPANY (US) 2005-10-27 WO disclosed
US-20050233246-A1 Novel optical storage materials, methods of making the storage materials, and methods for storing and reading data MOMENTIVE PERFORMANCE MATERIALS INC. 2005-10-20 US disclosed