SCHEMBL2779020

SCHEMBL2779020

C=C(C)Cc1ccc(SC)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.31
STK17B O94768 1/20 0.30

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
SCHEMBL2780027 0.81 TAS1R3 (0.36)
SCHEMBL2651814 0.79 HPGD (0.46) LMNASTK17B
SCHEMBL6520589 0.78 CYP4F2 (0.42) LMNASTK17B
SCHEMBL13356386 0.77 DAO (0.40) MAOAMAOBLMNA
SCHEMBL8372279 0.76 TRPA1 (0.39) LMNA
SCHEMBL2646898 0.76 ALDH1A1 (0.53) LMNA
SCHEMBL1555918 0.75 MAPT (0.40) MAOAMAOB
SCHEMBL14884688 0.75 MAOA (0.33) MAOAMAOB
SCHEMBL1575406 0.75 KDM4E (0.42) LMNASTK17B
SCHEMBL31451660 0.74 SLC6A4 (0.35) LMNASTK17B

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
WO-2010103429-A1 1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists PFIZER INC. (US) 2010-09-16 WO disclosed
WO-2010103429-A1 1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists PFIZER INC. (US) 2010-09-16 WO disclosed