SCHEMBL1126906

SCHEMBL1126906

CSC(C)Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4cc(C)cc(C)n4)CC3)cc2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MAPT P10636 6/20 0.35
LMNA P02545 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC2A1 P11166 2/20 0.34
RGS12 O14924 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL1127154 0.88 LMNA (0.36) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1987967 0.85 MAPT (0.41) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1127435 0.79 MAPT (0.40) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1126954 0.78 MAPT (0.38) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1126647 0.78 MAPT (0.40) MAPTLMNAKDM4EHSD17B10TSHR
SCHEMBL30234731 0.77 MAPT (0.42) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1127284 0.77 MAPT (0.42) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1127162 0.77 MAPT (0.41) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1126937 0.76 MAPT (0.39) GAAMAPTLMNAKDM4EHSD17B10
SCHEMBL1126530 0.76 MAPT (0.39) GAAMAPTLMNAKDM4EHSD17B10

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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed