SCHEMBL8634148

SCHEMBL8634148

COc1ccc(-c2cc(OS(=O)(=O)C(F)(F)F)cc(OC)c2C(=O)c2csc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37

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
SCHEMBL8634790 0.88 MAPT (0.48) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8637426 0.83 MAPT (0.47) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8635922 0.81 MAPT (0.43) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8632802 0.81 MAPT (0.43) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8633868 0.79 MAPT (0.44) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8336809 0.78 CNR2 (0.47) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8336291 0.75 MAPT (0.43) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8336438 0.75 CNR2 (0.46) MEN1KMT2AMAPTKDM4ECYP1A2
SCHEMBL7772092 0.74 ESR1 (0.56) CYP1A2CYP2D6
SCHEMBL8337435 0.73 MAPT (0.46) MEN1KMT2AMAPTKDM4ECYP1A2

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