SCHEMBL21880253

SCHEMBL21880253

ClC1(c2ccc(-c3ccc(C4(Cl)c5ccccc5Sc5ccccc54)cc3)cc2)c2ccccc2Sc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
NOX1 Q9Y5S8 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
PTGS2 P35354 1/20 0.35
SNCA P37840 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL21880255 0.77 S100A4 (0.42) MEN1CYP1A2MAPTKMT2ATDP1
SCHEMBL21880254 0.76 BCHE (0.35) BCHEACHENOX1MEN1CYP1A2
SCHEMBL8984697 0.73 NOX1 (0.44) BCHEACHENOX1MEN1CYP1A2
SCHEMBL23028806 0.73 MEN1 (0.33) BCHEACHENOX1MEN1CYP1A2
SCHEMBL20539744 0.68 NOX1 (0.48) BCHEACHENOX1MEN1CYP1A2
SCHEMBL11453271 0.68 CFTR (0.37) MAOA
SCHEMBL23028824 0.67 MEN1 (0.42) BCHEMEN1POLBMAPTKMT2A
SCHEMBL21732545 0.67 L3MBTL1 (0.38) MEN1POLBCYP3A4ADORA3MAPT
SCHEMBL28267231 0.66 NOX1 (0.41) BCHEACHENOX1MEN1CYP1A2
SCHEMBL23028927 0.65 BCHE (0.40) BCHEACHENOX1MEN1CYP1A2

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-10604618-B2 Compound, method for manufacturing the compound, and composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-31 US disclosed