SCHEMBL9130995

SCHEMBL9130995

CCOC(=O)CCCOc1ccc(C(=O)Nc2ccccc2S(=O)(=O)c2ccccc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
NLRP3 Q96P20 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PLK1 P53350 1/20 0.43
LTA4H P09960 4/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9131666 0.96 PLK1 (0.46) L3MBTL1TDP1LMNAMAPTPOLB
SCHEMBL9130553 0.90 LMNA (0.56) L3MBTL1LMNAMAPTPOLBNLRP3
SCHEMBL9132201 0.84 PLK1 (0.47) LMNAPOLBSMN1; SMN2PLK1MEN1
SCHEMBL9132468 0.83 CACNA1H (0.52) L3MBTL1TDP1LMNAMAPTPOLB
SCHEMBL9130510 0.83 LMNA (0.47) LMNAMAPTPOLBSMN1; SMN2PLK1
SCHEMBL9131526 0.83 L3MBTL1 (0.50) L3MBTL1TDP1LMNAMAPTPOLB
SCHEMBL9134090 0.81 MAPT (0.43) L3MBTL1TDP1LMNAMAPTPOLB
SCHEMBL9130795 0.80 CACNA1H (0.50) LMNAMAPTPOLBNLRP3SMN1; SMN2
SCHEMBL9134929 0.79 PLK1 (0.47) L3MBTL1TDP1LMNAMAPTPOLB
SCHEMBL9132445 0.79 TP53 (0.40) L3MBTL1TDP1LMNAMAPTPOLB

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
US-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 EP disclosed