SCHEMBL1723583

SCHEMBL1723583

Cc1c(C)c(N2CCN(c3ccc(CCO)cc3)CC2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHKA P35790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 3/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DGAT1 O75907 1/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 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 0.87 MAPT (0.39) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL658008 0.86 SMN1; SMN2 (0.34) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL1723899 0.85 LMNA (0.33) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL661032 0.84 AKR1C3 (0.40) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL16104249 0.84 NCF1 (0.44) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL659732 0.84 RORC (0.34) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL1721711 0.84 S1PR1 (0.33) MAPTNPSR1CHKAALOX15S1PR1
SCHEMBL657676 0.82 MEN1 (0.41) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL659624 0.82 LMNA (0.40) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL657986 0.81 MAPT (0.46) SMN1; SMN2LMNAALDH1A1MAPTKDM4E

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