SCHEMBL8621979

SCHEMBL8621979

CC(C)C(C)(C#N)NC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 3/20 0.46
GSK3A P49840 2/20 0.46
MAPK10 P53779 2/20 0.46
MAPK8 P45983 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
SNRK Q9NRH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
NLRP3 Q96P20 1/20 0.44
EPHX2 P34913 1/20 0.44
VNN1 O95497 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL7215966 0.84 KMT2A (0.46) KMT2AMEN1CTSBCTSSCTSK
SCHEMBL8102678 0.82 ALDH1A1 (0.52) KMT2AMEN1CTSSCTSKKDM4E
SCHEMBL7219751 0.80 HTT (0.54) KMT2AMEN1EPHX2KDM4EALDH1A1
SCHEMBL7220666 0.79 L3MBTL1 (0.57) L3MBTL1ANO1KMT2AMEN1ALDH1A1
SCHEMBL8862625 0.72 ANO1 (0.42) ANO1KMT2AMEN1KDM4EALDH1A1
SCHEMBL14609698 0.72 ANO1 (0.42) MAPK8ANO1KMT2AKDM4EALDH1A1
SCHEMBL5848162 0.72 L3MBTL1 (0.60) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL31189138 0.72 MEN1 (0.59) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL6136737 0.72 NR1H4 (0.56) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL6136739 0.72 NR1H4 (0.56) RIOK2GSK3AMAPK10MAPK8HIPK1

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
JP-10045695-A None JP disclosed
JP-H1045695-A NAPHTHYLALKANOIC ACID AMIDE DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE KUMIAI CHEM IND CO LTD 1998-02-17 JP disclosed