SCHEMBL8921761

SCHEMBL8921761

COC(=O)CCCSN(C(C)=O)c1cc(Cl)ccc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ABL1 P00519 1/20 0.45
POLB P06746 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR4A2 P43354 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8921602 0.71 MEN1 (0.61) MAPTABL1MEN1LMNAKMT2A
SCHEMBL3532872 0.71 MAPT (0.41) MAPTABL1POLBMCOLN3KMT2A
SCHEMBL6649136 0.70 ABL1 (0.60) MAPTABL1POLBMCOLN3MEN1
SCHEMBL14443210 0.69 MAPT (0.62) MAPTPOLBMEN1LMNAKMT2A
SCHEMBL7643547 0.69 ABL1 (0.55) MAPTABL1POLBMCOLN3MEN1
SCHEMBL29110340 0.69 POLB (0.48) MAPTABL1POLBMCOLN3MEN1
SCHEMBL5499901 0.68 ABL1 (0.54) MAPTABL1MEN1LMNAKMT2A
SCHEMBL31058534 0.68 ALDH1A1 (0.58) MAPTABL1POLBMEN1LMNA
SCHEMBL11775995 0.68 ALDH1A1 (0.58) MAPTABL1POLBMEN1LMNA
SCHEMBL27388946 0.67 ABL1 (0.49) MAPTABL1POLBMCOLN3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed