SCHEMBL1645787

SCHEMBL1645787

COc1ccc2cc(-c3ccccc3)c(C(=O)C(=O)Nc3ccc(N(CCCNc4cc(C)cc(C)n4)c4ccccc4)cc3)n2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 6/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ROS1 P08922 1/20 0.32
USP2 O75604 1/20 0.32
MAPK10 P53779 1/20 0.32
KCNA3 P22001 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
SCHEMBL2231073 0.91 LMNA (0.39) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL2231070 0.90 LMNA (0.40) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1646815 0.89 LMNA (0.40) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1645789 0.86 LMNA (0.36) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1647782 0.82 LMNA (0.40) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1644374 0.82 LMNA (0.41) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL2232559 0.82 LMNA (0.42) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1646094 0.81 LMNA (0.41) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL2230727 0.81 SMN1; SMN2 (0.42) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL2233955 0.80 LMNA (0.40) LMNAHTTSMN1; SMN2MAPTALDH1A1

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-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed