SCHEMBL30158601

SCHEMBL30158601

CCCCCCCCCCCCN1C=CN(C)C1.N#CNC#N

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.31
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 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
SCHEMBL28883827 1.00 GUSB (0.31) GUSBEBPSIGMAR1MEN1KMT2A
SCHEMBL28811668 1.00 GUSB (0.31) GUSBEBPSIGMAR1MEN1KMT2A
SCHEMBL30999659 0.98 KDM4E (0.30)
SCHEMBL2761231 0.93
Water SCHEMBL28580999 0.88 GUSB (0.37) GUSBEBPSIGMAR1
Water SCHEMBL29077773 0.88 GUSB (0.37) GUSBEBPSIGMAR1
Water SCHEMBL29077781 0.88 GUSB (0.37) GUSBEBPSIGMAR1
Water SCHEMBL28783498 0.88 GUSB (0.37) GUSBEBPSIGMAR1
Water SCHEMBL27754224 0.88 GUSB (0.37) GUSBEBPSIGMAR1
Water SCHEMBL27827511 0.88 GUSB (0.37) GUSBEBPSIGMAR1

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-115651646-A Preparation method of ionic liquid gel nanospheres containing carbon dots and application of ionic liquid gel nanospheres in fluorescence detection 辽宁大学 2023-01-31 CN claimed