SCHEMBL14684253

SCHEMBL14684253

COc1cc2cc(C)sc2c2c(OC)cc3ccsc3c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CA2 P00918 1/20 0.31
KEAP1 Q14145 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
GAA P10253 1/20 0.30
RECQL P46063 1/20 0.30
GFER P55789 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
SCHEMBL14673728 0.87 MAPT (0.41) MAPTTSHRHTR2AHTR2CCA2
SCHEMBL14684252 0.79 CLK1 (0.36) MAPTTSHRGAARECQL
SCHEMBL14674053 0.74 ALOX5 (0.36) HTR2AHTR2C
SCHEMBL4416728 0.72 CYP2A6 (0.33) MAPTTSHR
SCHEMBL146428 0.71 CA2 (0.56) MAPTCA2RECQL
SCHEMBL14673307 0.70 STING1 (0.40) GAA
SCHEMBL16009860 0.69 MAOA (0.42) MAPTTSHRKEAP1
SCHEMBL15018567 0.69 ACHE (0.43) MAPTTSHRHTR2AHTR2CCA2
SCHEMBL20230286 0.69 MAPT (0.40) MAPTTSHRHTR2AHTR2CKEAP1
SCHEMBL10732238 0.68 ALDH1A1 (0.37) PDGFRBPDGFRAGAA

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-20130035464-A1 Semiconducting Compounds and Devices Incorporating Same USINVEST LLC 2013-02-07 US disclosed