SCHEMBL27397704

SCHEMBL27397704

CCOC(=O)Cc1c(CCc2ccc(OC)cc2)oc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.40
GLA P06280 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SLC22A12 Q96S37 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8469414 0.92 MAPT (0.46) MAPTKMT2AGLAMEN1KDM4E
SCHEMBL7386935 0.87 PTGS2 (0.45) KDM4ESLC22A12ALDH1A1MTNR1AMTNR1B
SCHEMBL8469654 0.79 MTNR1A (0.45) MAPTKMT2AGLAMEN1KDM4E
SCHEMBL7386931 0.79 MTNR1A (0.47) MAPTMTNR1AMTNR1BPTGS2
SCHEMBL8469412 0.78 KDM4E (0.42) MAPTKMT2AGLAKDM4ESLC22A12
SCHEMBL32670486 0.78 KDM4E (0.51) MAPTGLAKDM4EALDH1A1LMNA
SCHEMBL7390820 0.77 MAPT (0.60) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL27332044 0.77 MAPT (0.41) MAPTKMT2AMEN1KDM4ESLC22A12
SCHEMBL7390540 0.74 MTNR1A (0.46) MAPTSLC22A12ATMMTNR1AMTNR1B
SCHEMBL27372573 0.73 PPARG (0.39) MAPTKMT2AMEN1SLC22A12MTNR1A

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
CN-1097052-C Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 2002-12-25 CN disclosed
CN-1062865-C Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 2001-03-07 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed