SCHEMBL4038411

SCHEMBL4038411

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.50
SLC9A3 P48764 4/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4029010 0.91 SLC9A3 (0.49) SLC9A3
SCHEMBL4031663 0.91 SLC9A3 (0.57) L3MBTL1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4033105 0.90 SLC9A3 (0.51) SLC9A3
SCHEMBL4026092 0.88 SLC9A3 (0.50) SLC9A3
SCHEMBL4032563 0.88 SLC9A3 (0.50) KMT2AMEN1SLC9A3
SCHEMBL4027673 0.87 SLC9A3 (0.49) SLC9A3
SCHEMBL4029284 0.87 SLC9A3 (0.49) SLC9A3
SCHEMBL4031065 0.81 SLC9A3 (0.62) SLC9A3
SCHEMBL2576031 0.81 SLC9A3 (0.54) SLC9A3
SCHEMBL4031638 0.81 SLC9A3 (0.56) SLC9A3

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
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed