SCHEMBL28188367

SCHEMBL28188367

[CH2]C(C(=O)O)c1cn[nH]c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.35
ROCK2 O75116 4/20 0.33
AKT2 P31751 2/20 0.32
AKT1 P31749 1/20 0.32
KCNH2 Q12809 1/20 0.32
ROCK1 Q13464 3/20 0.31
MYLK4 Q86YV6 2/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL509533 0.76 NOS2 (0.42) NOS2KCNH2LMNAAPEX1PMP22
SCHEMBL27166511 0.72 ATM (0.37) NOS2ROCK2AKT1KCNH2ROCK1
SCHEMBL1560439 0.72 AKT2 (0.41) ROCK2AKT2AKT1ROCK1MYLK4
SCHEMBL12482421 0.69 CPB2 (0.41) NOS2AKT2ROCK1MYLK4
SCHEMBL28105367 0.67 HAT1 (0.33) NOS2ROCK2ROCK1MYLK4
SCHEMBL14157259 0.67 KCNH2 (0.39) NOS2AKT2AKT1KCNH2LMNA
SCHEMBL2583496 0.67 NOS2 (0.45) NOS2ROCK2KCNH2ROCK1LMNA
SCHEMBL6055220 0.66 MEN1 (0.43) ROCK2AKT2AKT1ROCK1MYLK4
SCHEMBL9326757 0.66 MEN1 (0.43) ROCK2AKT2AKT1ROCK1MYLK4
SCHEMBL15677816 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110035657-A Liquid herbicidal composition containing sulfonylurea and Li salt 巴特尔英国有限公司 2019-07-19 CN disclosed
CN-107427010-A LIQUID SULFONYLUREA-CONTAINING HERBICIDAL COMPOSITIONS 三井农业化学国际有限公司 2017-12-01 CN disclosed