SCHEMBL27759092

SCHEMBL27759092

CCCCN=C(N)N.F[B-](F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
LMNA P02545 1/20 0.56
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
DHPS P49366 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL343420 0.90
Hydrochloric Acid SCHEMBL4604366 0.87
Bromide SCHEMBL14862177 0.87
SCHEMBL27759182 0.85 MEN1 (0.52) MEN1KMT2ALMNACYP1A2ALOX15
Trimethylammonium SCHEMBL27590395 0.83 MEN1 (0.70) MEN1KMT2ALMNAGRIN2DGRIN3B
SCHEMBL29294 0.82
SCHEMBL4104867 0.80 MEN1 (1.00) MEN1KMT2ALMNACYP1A2ALOX15
SCHEMBL1138747 0.80 MEN1 (1.00) MEN1KMT2ALMNACYP1A2ALOX15
SCHEMBL5306840 0.80 MEN1 (1.00) MEN1KMT2ALMNACYP1A2ALOX15
SCHEMBL1069234 0.80 MEN1 (1.00) MEN1KMT2ALMNACYP1A2ALOX15

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-101420053-A Guanidinium type ionic liquid electrolyzing solution for lithium secondary cell UNIV SHANGHAI JIAOTONG (CN) 2009-04-29 CN disclosed