SCHEMBL7200003

SCHEMBL7200003

N#CC(C(=O)c1cccc(C(=O)C(C#N)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 6/20 0.41
S1PR3 Q99500 6/20 0.41
SLC6A3 Q01959 4/20 0.40
KMO O15229 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
GSK3B P49841 1/20 0.39
S1PR2 O95136 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL7200920 0.83 SLC6A3 (0.41) S1PR4S1PR3SLC6A3S1PR1S1PR5
SCHEMBL7200938 0.79 TDP1 (0.50) GSK3BALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30141294 0.78 SLC6A3 (0.46) S1PR4S1PR3SLC6A3S1PR1S1PR2
SCHEMBL6802932 0.78 SLC6A3 (0.44) S1PR4S1PR3SLC6A3S1PR1SLC6A2
SCHEMBL28807408 0.77 LMNA (0.46) S1PR3SLC6A3S1PR1SLC6A2SLC6A4
SCHEMBL11811321 0.77 IDO1 (0.43) S1PR4S1PR3SLC6A3S1PR1S1PR5
SCHEMBL19926137 0.76 KMT2A (0.50) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL29875053 0.76 KMT2A (0.54) S1PR3S1PR1ALDH1A1LMNAHTT
SCHEMBL19924548 0.76 KMT2A (0.54) S1PR3S1PR1ALDH1A1LMNAHTT
SCHEMBL20767316 0.74 SLC6A3 (0.41) S1PR4S1PR3SLC6A3S1PR2SLC6A2

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
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed