SCHEMBL17807515

SCHEMBL17807515

CCCS(=O)(=O)c1cccc2cccc(N(C)C)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA2 P00918 2/20 0.41
▸ HTR6 P50406 2/20 0.39
▸ F2 P00734 3/20 0.38
▸ PRSS1 P07477 3/20 0.38
▸ PRSS2 P07478 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ EDNRA P25101 6/20 0.37
▸ ADRA2C P18825 2/20 0.36
▸ ADRA1D P25100 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1B P35368 2/20 0.36

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
SCHEMBL10048751 0.89 GAA (0.57) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL3806560 0.79 CYP1A2 (0.63) KDM4ECYP1A2CYP2C19HTTHIF1A
SCHEMBL15631840 0.79 GAA (0.57) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL8149846 0.78 CA2 (0.64) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL14845761 0.78 GAA (0.61) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL12698753 0.78 KDM4E (0.47) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL9676821 0.77 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL17322787 0.77 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL4889389 0.77 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL30116330 0.77 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19

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-20160160215-A1 POLYNUCLEOTIDES FOR MULTIVALENT RNA INTERFERENCE, COMPOSITIONS AND METHODS OF USE THEREOF HALO BIO RNAI THERAPEUTICS INC (US) 2016-06-09 — — US disclosed
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