SCHEMBL28020192

SCHEMBL28020192

COCCOCc1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SYK P43405 3/20 0.35
BIRC5 O15392 1/20 0.34
RIPK2 O43353 1/20 0.34
SP1 P08047 1/20 0.34
ILF3 Q12906 1/20 0.34
PAK1 Q13153 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GRM5 P41594 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28020191 0.93 KDM4E (0.36) KDM4ESYKBIRC5RIPK2SP1
SCHEMBL10849584 0.83 CYP2D6 (0.40) KDM4ESYKGABRA1GABRG2GABRB3
SCHEMBL31415045 0.82
SCHEMBL570248 0.82
SCHEMBL10616947 0.80 CYP2D6 (0.49) KDM4ESYKALDH1A1HPGDHSD17B10
SCHEMBL11373437 0.79 GRM5 (0.40) KDM4ESYKGABRA1GABRG2GABRB3
SCHEMBL11370497 0.79 GRM5 (0.37) SYKGABRA1GABRG2GABRB3GABRA5
SCHEMBL5569539 0.79 GRM5 (0.36) KDM4ESYKGABRA1GABRG2GABRB3
SCHEMBL4266146 0.79 KDM4E (0.42) KDM4EBIRC5RIPK2SP1ILF3
SCHEMBL13573945 0.76 KDM4E (0.43) KDM4EBIRC5RIPK2SP1ILF3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102952098-B Pyrazine ionic liquid and its preparation method and application Haiyangwang Lighting Technology Co., Ltd. (CN) 2015-08-05 CN disclosed