SCHEMBL28105367

SCHEMBL28105367

N=C(N)NC(C(=O)O)c1cn[nH]c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 1/20 0.33
EP300 Q09472 1/20 0.33
NOS2 P35228 1/20 0.33
ROCK2 O75116 10/20 0.32
ROCK1 Q13464 8/20 0.32
MYLK4 Q86YV6 4/20 0.32
MME P08473 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
SCHEMBL28797499 0.76 HCAR2 (0.35)
SCHEMBL32681721 0.75 CTSS (0.43)
SCHEMBL27809896 0.73 MME (0.32) HAT1EP300MME
SCHEMBL28160803 0.73 CA1 (0.50)
SCHEMBL28807145 0.71 MAPT (0.41)
SCHEMBL31527715 0.71 MAPT (0.41)
SCHEMBL10344624 0.70 FOLH1 (0.50)
SCHEMBL28875042 0.70 NAPRT (0.40) HAT1EP300
SCHEMBL31527760 0.69 KEAP1 (0.39)
SCHEMBL28223454 0.69 LMNA (0.50)

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-106083814-A A kind of substituted pyridine connection pyrazoles acetamides and its preparation method and application 浙江工业大学 2016-11-09 CN disclosed