SCHEMBL13869837

SCHEMBL13869837

COc1cc(-c2nc3sc4c(c3c(=O)n2Cc2ccc(Br)o2)CCC(Br)C4=O)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
USP2 O75604 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 1/20 0.36
HSD17B10 Q99714 3/20 0.34
CDKN1A P38936 3/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL2923125 0.90 HSD11B1 (0.47) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL2925815 0.86 HSD11B1 (0.48) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL2917261 0.84 MAPT (0.43) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL13869812 0.83 RXFP1 (0.47) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL2925396 0.82 MEN1 (0.42) MAPTKDM4EALDH1A1POLBHPGD
SCHEMBL2922001 0.81 MAPT (0.41) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL2918293 0.79 MAPT (0.43) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL2925659 0.77 HSD11B1 (0.62) MAPTKDM4EALDH1A1POLBHPGD
SCHEMBL2917535 0.76 HSD11B1 (0.61) MAPTUSP2NPSR1KDM4EALDH1A1
SCHEMBL2924591 0.75 HSD11B1 (0.46) MAPTKDM4EALDH1A1POLBHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed