SCHEMBL1723725

SCHEMBL1723725

COc1c(C)c(N2CCN(C(=O)O)CC2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL660132 0.79 DRD2 (0.44) POLBMEN1KMT2ALMNAHTT
SCHEMBL658984 0.78 LMNA (0.39) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL658763 0.76 GAA (0.38) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL659448 0.75 AKR1C3 (0.38) LMNAHTT
SCHEMBL657755 0.74 HSP90AA1 (0.32) MEN1KMT2A
SCHEMBL659176 0.74 KCNA5 (0.36) POLBMEN1KMT2ALMNAMAPK1
SCHEMBL657987 0.74 DRD2 (0.40) POLBSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL660752 0.74 DRD2 (0.34) POLBMEN1KMT2ALMNAHTT
SCHEMBL657655 0.71 ALDH1A1 (0.46) POLBMEN1KMT2ALMNAMAPK1
SCHEMBL660336 0.68 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
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