SCHEMBL9130724

SCHEMBL9130724

CC(=O)CCCCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 6/20 0.43
ACHE P22303 6/20 0.43
BACE1 P56817 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CACNA1H O95180 2/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9135710 0.90 PLK1 (0.58) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9132489 0.89 PLK1 (0.60) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9130744 0.89 PLK1 (0.60) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9132673 0.88 PLK1 (0.47) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9134929 0.88 PLK1 (0.47) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9129998 0.87 PLK1 (0.45) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9132519 0.86 NR1H4 (0.53) PLK1SMN1; SMN2
SCHEMBL9131526 0.86 L3MBTL1 (0.50) PLK1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9129571 0.83 LMNA (0.46) LMNAALDH1A1GAASMN1; SMN2TDP1
SCHEMBL9130582 0.83 CACNA1H (0.54) PLK1GAABCHEACHEBACE1

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