SCHEMBL4031663

SCHEMBL4031663

CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 9/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4031065 0.91 SLC9A3 (0.62) SLC9A3
SCHEMBL4038411 0.91 L3MBTL1 (0.59) SLC9A3SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4032721 0.90 SLC9A3 (0.65) SLC9A3
SCHEMBL4025796 0.89 SLC9A3 (0.63) SLC9A3
SCHEMBL4035736 0.89 SLC9A3 (0.63) SLC9A3
SCHEMBL4029541 0.88 SLC9A3 (0.61) SLC9A3
SCHEMBL4029470 0.88 SLC9A3 (0.55) SLC9A3
SCHEMBL4025508 0.82 SLC9A3 (0.68) SLC9A3
SCHEMBL4028711 0.82 SLC9A3 (0.68) SLC9A3
SCHEMBL4029010 0.81 SLC9A3 (0.49) 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