SCHEMBL8635922

SCHEMBL8635922

CCCOc1cc(OC)c(C(=O)c2csc3ccccc23)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 5/20 0.42
CNR1 P21554 2/20 0.42
PDE10A Q9Y233 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL8632802 0.96 MAPT (0.43) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8634790 0.90 MAPT (0.48) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8637426 0.84 MAPT (0.47) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL7772092 0.84 ESR1 (0.56) CYP1A2CYP2D6ESR1ESR2
SCHEMBL8633868 0.83 MAPT (0.44) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8340639 0.82 CNR2 (0.41) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8634148 0.81 MEN1 (0.42) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8336035 0.81 CNR2 (0.41) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8336809 0.80 CNR2 (0.47) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8336383 0.77 CNR2 (0.40) MAPTKDM4EMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747524-A BENZOTHIOPHENES AND BENZOFURANS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed