SCHEMBL9457451

SCHEMBL9457451

COC(=S)C(C)(C)CCC(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
VNN1 O95497 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
RIPK1 Q13546 1/20 0.38
NPC1 O15118 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9457560 0.85 LMNA (0.41) L3MBTL1TDP1VNN1ALDH1A1KDM4E
SCHEMBL26287745 0.77 TDP1 (0.54) L3MBTL1TDP1VNN1ALDH1A1KDM4E
SCHEMBL9457672 0.77 ALOX5 (0.47) L3MBTL1TDP1ALDH1A1KDM4ELMNA
SCHEMBL9458372 0.76 L3MBTL1 (0.50) L3MBTL1TDP1VNN1ALDH1A1KDM4E
SCHEMBL3280890 0.76 VNN1 (0.42) L3MBTL1TDP1VNN1ALDH1A1LMNA
SCHEMBL9457447 0.76 TDP1 (0.46) L3MBTL1TDP1VNN1ALDH1A1RAB9A
SCHEMBL3283410 0.75 ALDH1A1 (0.49) L3MBTL1TDP1VNN1ALDH1A1LMNA
SCHEMBL2739376 0.74 TDP1 (0.51) L3MBTL1TDP1VNN1ALDH1A1KDM4E
SCHEMBL1538041 0.74 CES1 (0.55) L3MBTL1TDP1VNN1ALDH1A1MEN1
SCHEMBL3283849 0.74 TDP1 (0.46) L3MBTL1TDP1VNN1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225421-A Leukotriene antagonists; cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1993-07-06 US disclosed
EP-0275667-B1 3-HETERO-SUBSTITUTED-N-BENZYL-INDOLES MERCK FROSST CANADA INC. (CA) 1992-03-18 EP disclosed
US-5081138-A Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0275667-A1 3-hetero-substituted-N-benzyl-indoles MERCK FROSST CANADA INC. (CA) 1988-07-27 EP disclosed