SCHEMBL6946288

SCHEMBL6946288

CC1=NN(c2ccc(/C=C/c3ccc(Nc4nc(N)nc(Nc5ccc(/C=C/c6ccc(N7N=C(C)CC7=O)cc6S(=O)(=O)O)cc5S(=O)(=O)O)n4)c(S(=O)(=O)O)c3)c(S(=O)(=O)O)c2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
KMT2A Q03164 8/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 6/20 0.39
GAA P10253 5/20 0.39
TDP1 Q9NUW8 5/20 0.39
POLB P06746 3/20 0.39
THRB P10828 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RECQL P46063 2/20 0.37
LMNA P02545 2/20 0.35
CASP6 P55212 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APP P05067 5/20 0.34
HTT P42858 1/20 0.33
ELAVL1 Q15717 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
SCHEMBL6956653 1.00 MAPT (0.39) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6947884 0.79 MAPT (0.54) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6947889 0.79 MAPT (0.54) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6953367 0.71 ENPP2 (0.47) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6953355 0.71 ENPP2 (0.47) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL7608344 0.69 MAPT (0.49) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL17562382 0.69 CA9 (0.47) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL15782099 0.67 CA12 (0.41) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL17566291 0.67 ENPP2 (0.49) MAPTCA1CA2CA9L3MBTL1
SCHEMBL6948935 0.67 CA1 (0.39) MAPTKMT2AALDH1A1KDM4EMEN1

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-1261587-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIV BASEL (CH) 2003-07-16 EP claimed
EP-1261587-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIV BASEL (CH) 2003-07-16 EP disclosed