SCHEMBL1723899

SCHEMBL1723899

Cc1c(C)c(N2CCN(c3ccc(CC=O)cc3)CC2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 3/20 0.32
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
GFER P55789 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL659127 0.88 MAPT (0.39) LMNAALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL658008 0.87 SMN1; SMN2 (0.34) LMNAALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL661032 0.85 AKR1C3 (0.40) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL659732 0.85 RORC (0.34) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1723583 0.85 SMN1; SMN2 (0.35) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL16104249 0.85 NCF1 (0.44) LMNAALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL657676 0.83 MEN1 (0.41) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL659624 0.83 LMNA (0.40) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL657986 0.82 MAPT (0.46) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL658656 0.82 LMNA (0.34) LMNAALDH1A1SMN1; SMN2HSP90AA1HSP90AB1

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-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed