SCHEMBL9130676

SCHEMBL9130676

CCCCC=CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.46
CYSLTR1 Q9Y271 7/20 0.46
PLK1 P53350 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
ACAT1 P24752 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9130667 1.00 CYSLTR2 (0.46) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9131409 0.94 CYSLTR2 (0.44) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9131404 0.94 CYSLTR2 (0.44) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9132395 0.92 ALDH1A1 (0.44) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9132386 0.92 ALDH1A1 (0.44) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9131388 0.91 CYSLTR2 (0.43) CYSLTR2CYSLTR1PLK1KMT2AMEN1
SCHEMBL9131400 0.91 CYSLTR2 (0.43) CYSLTR2CYSLTR1PLK1KMT2AMEN1
SCHEMBL9135856 0.89 CYSLTR2 (0.44) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9135850 0.89 CYSLTR2 (0.44) CYSLTR2CYSLTR1PLK1TDP1KMT2A
SCHEMBL9135710 0.87 PLK1 (0.58) PLK1TDP1KMT2AMEN1NPC1

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