SCHEMBL28220085

SCHEMBL28220085

CCC(=O)NC(C#N)C#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
MCL1 Q07820 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 0.31
PSMB5 P28074 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 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
SCHEMBL27440714 0.79
SCHEMBL25967083 0.79
SCHEMBL27440724 0.79
SCHEMBL27440765 0.77 CYP2C9 (0.43) CYP2C9MCL1MEN1KMT2AALDH1A1
SCHEMBL9715323 0.72
SCHEMBL2775866 0.71 RXFP1 (0.39) CYP2C9MEN1KMT2AACACBALDH1A1
SCHEMBL1968575 0.71 RXFP1 (0.39) CYP2C9MEN1KMT2AACACBALDH1A1
SCHEMBL25967009 0.71 CYP2C9 (0.42) CYP2C9MCL1MEN1KMT2AACACB
SCHEMBL28554597 0.69 CYP2C9 (0.36) CYP2C9ACACBALDH1A1
SCHEMBL8399963 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108353902-A A kind of Herbicidal composition for rice field 陕西上格之路生物科学有限公司 2018-08-03 CN disclosed
CN-108124891-A A kind of Herbicidal composition for rice field 陕西上格之路生物科学有限公司 2018-06-08 CN disclosed
CN-108124883-A A kind of Herbicidal composition for rice field 陕西上格之路生物科学有限公司 2018-06-08 CN disclosed