SCHEMBL14684252

SCHEMBL14684252

COc1cc2cc(C(C)=O)sc2c2c(OC)cc3ccsc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
STING1 Q86WV6 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34

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 0.81 MAPT (0.41) MAPTKDM4ETSHRALDH1A1HPGD
SCHEMBL14673307 0.80 STING1 (0.40) STING1GAA
SCHEMBL14684253 0.79 MAPT (0.40) MAPTTSHRRECQLGAA
SCHEMBL10731035 0.73 STING1 (0.40) CLK1DYRK1ADYRK1BMAPTHDAC3
SCHEMBL18133644 0.71 CLK1 (0.40) CLK1DYRK1ADYRK1BMAPTKDM4E
SCHEMBL14674053 0.69 ALOX5 (0.36)
SCHEMBL31081029 0.69 MAPT (0.43) CLK1DYRK1ADYRK1BMAPTHDAC3
SCHEMBL9204578 0.68 STING1 (0.63) CLK1DYRK1ADYRK1BHDAC3HDAC4
SCHEMBL4109432 0.68 HDAC3 (0.66) CLK1DYRK1ADYRK1BMAPTKDM4E
SCHEMBL19731266 0.65 CA12 (0.51) KDM4ETSHRALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035004-B2 Semiconducting compounds and devices incorporating same POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-20130035464-A1 Semiconducting Compounds and Devices Incorporating Same USINVEST LLC 2013-02-07 US disclosed