SCHEMBL9130744

SCHEMBL9130744

CCCCCCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.60
ACAT1 P24752 1/20 0.53
NR1H4 Q96RI1 2/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL9132489 1.00 PLK1 (0.60) PLK1ACAT1NR1H4ALDH1A1LMNA
SCHEMBL9135710 0.99 PLK1 (0.58) PLK1ACAT1NR1H4ALDH1A1LMNA
SCHEMBL9132673 0.91 PLK1 (0.47) PLK1ACAT1ALDH1A1LMNAGAA
SCHEMBL9134882 0.90 ACAT1 (0.52) PLK1ACAT1NR1H4ALDH1A1LMNA
SCHEMBL9130724 0.89 PLK1 (0.46) PLK1ACAT1ALDH1A1LMNAGAA
SCHEMBL9134929 0.89 PLK1 (0.47) PLK1ACAT1ALDH1A1LMNAGAA
SCHEMBL9129998 0.87 PLK1 (0.45) PLK1ACAT1NR1H4ALDH1A1LMNA
SCHEMBL9132519 0.87 NR1H4 (0.53) PLK1NR1H4SMN1; SMN2
SCHEMBL9131526 0.87 L3MBTL1 (0.50) PLK1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9130676 0.86 CYSLTR2 (0.46) PLK1ACAT1ALDH1A1LMNASMN1; 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 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