SCHEMBL809975

SCHEMBL809975

C=Cc1ccc(Cl)cc1CCCI

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
SLC22A1 O15245 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HSPD1 P10809 1/20 0.32
HSPA5 P11021 1/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL809722 0.84 PTGDR (0.35) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL809923 0.79 TAAR1 (0.34) TDP1MAPTKMT2A
SCHEMBL22176130 0.76 TAAR1 (0.41) MEN1SLC22A1USP2LMNAHSP90AA1
SCHEMBL810176 0.76 HPGD (0.38) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL809792 0.76 CYP1A1 (0.39) CYP3A4IDO1ALOX15ALOX12SMN1; SMN2
SCHEMBL809517 0.76 S1PR1 (0.31) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL29135543 0.74 PTGDR (0.47) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL15524757 0.74 HPGD (0.36) TDP1MEN1SLC22A1USP2LMNA
SCHEMBL20879214 0.74 MEN1 (0.36) MEN1SLC22A1USP2LMNAHSP90AA1
SCHEMBL8170934 0.74 TDP1 (0.41) TDP1MEN1SLC22A1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed