SCHEMBL22017872

SCHEMBL22017872

O=C(O)CC[n+]1ccc(C(=O)NCC2CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPK14 Q16539 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
NAMPT P43490 2/20 0.37
GABRA5 P31644 2/20 0.37
MLYCD O95822 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36

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
SCHEMBL22018045 0.82 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL22018041 0.82 CA2 (0.44) HDAC6HDAC4HDAC3HDAC1HDAC7
SCHEMBL22018099 0.82 MAPK1 (0.35) HDAC6MAPK14CYP2C9
SCHEMBL22017879 0.80 GRM5 (0.43) SMN1; SMN2
SCHEMBL22018315 0.80 MEN1 (0.34) CYP2C9HIF1A
SCHEMBL22018297 0.79 BAZ2B (0.39) HDAC6HDAC2HDAC8SMN1; SMN2
SCHEMBL22018316 0.79 MAPK1 (0.38) HDAC6SMN1; SMN2CYP2C9
SCHEMBL22018667 0.79 CA1 (0.41) CYP2C9NAMPT
SCHEMBL22018673 0.79 APOBEC3A (0.52) HDAC6HDAC2HDAC8SMN1; SMN2
SCHEMBL22018672 0.79 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C9

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
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed