SCHEMBL8534673

SCHEMBL8534673

CN(C)Cc1ccccc1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.74
▸ SLC6A2 P23975 7/20 0.74
▸ SLC6A3 Q01959 5/20 0.74
▸ KDM4E B2RXH2 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ ITGB2 P05107 1/20 0.66
▸ ICAM1 P05362 1/20 0.66
▸ ITGAL P20701 1/20 0.66
▸ LMNA P02545 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL8534354 0.91 ATM (0.69) SLC6A4SLC6A2SLC6A3KDM4EATM
SCHEMBL8535269 0.88 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3KDM4EATM
SCHEMBL5732433 0.85 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3LMNATDP1
Hydrochloric Acid SCHEMBL9464818 0.84 SLC6A4 (0.97) SLC6A4SLC6A2SLC6A3KDM4EATM
SCHEMBL9541406 0.84 SLC6A4 (0.92) SLC6A4SLC6A2SLC6A3ITGB2ICAM1
Hydrochloric Acid SCHEMBL9541705 0.82 SLC6A4 (0.89) SLC6A4SLC6A2SLC6A3KDM4EATM
SCHEMBL8533948 0.82 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3LMNATDP1
SCHEMBL9541450 0.81 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3KDM4EATM
SCHEMBL9541726 0.81 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3LMNATDP1
SCHEMBL9541658 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3LMNATDP1

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-0859757-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS Farmak A.S. (CZ) 1998-08-26 — — EP disclosed
WO-1997017325-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS FARMAK A.S. (CZ) 1997-05-15 — — WO disclosed
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