SCHEMBL28020188

SCHEMBL28020188

COC(C)OCc1cnccn1.F[B-](F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.35
SYK P43405 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ACACB O00763 1/20 0.31
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL28019751 0.94 PSMB5 (0.38) PSMB5SYKKDM4EALDH1A1SMN1; SMN2
Pyrazine SCHEMBL28019686 0.92 PSMB5 (0.37) PSMB5SYKKDM4EALDH1A1SMN1; SMN2
SCHEMBL10849052 0.78 PSMB5 (0.40) PSMB5SYKKDM4EALDH1A1SMN1; SMN2
SCHEMBL28020191 0.73 KDM4E (0.36) PSMB5SYKKDM4EALDH1A1GABRA1
SCHEMBL31415045 0.72
SCHEMBL570248 0.72
SCHEMBL28035933 0.70 SYK (0.43) SYKKDM4EALDH1A1SMN1; SMN2GABRA1
SCHEMBL28035934 0.70 SYK (0.40) SYKKDM4EALDH1A1SMN1; SMN2GABRA1
SCHEMBL28025644 0.70
SCHEMBL28025151 0.69 MAOA (0.33)

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