SCHEMBL29133541

SCHEMBL29133541

O=[N+]([O-])c1cc(Cl)ccc1OC(F)C(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.51
MAPK1 P28482 4/20 0.46
TSHR P16473 1/20 0.46
VCAM1 P19320 1/20 0.44
S1PR4 O95977 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PDK1 Q15118 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE7B Q9NP56 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KIF18A Q8NI77 1/20 0.39

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
SCHEMBL29226251 0.81 S100A4 (0.40) MAPK1S1PR4KDM4EPDK1LMNA
SCHEMBL19175613 0.81 PDK1 (0.61) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL1414588 0.79 ALDH5A1 (0.50) VCAM1LMNAMAPTSMN1; SMN2POLB
SCHEMBL10387432 0.78 PDE7A (0.71) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL11442169 0.77 PDE7A (0.50) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL29135344 0.77 ALDH1A1 (0.55) KDM4ELMNAMAPTSMN1; SMN2POLB
SCHEMBL22749049 0.76 MAPT (0.55) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL11583795 0.76 PDE7A (0.49) PDE7AMAPK1TSHRVCAM1S1PR4
SCHEMBL18979177 0.75 MAPT (0.52) PDE7AKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL29485957 0.75 LMNA (0.59) PDE7AMAPK1TSHRVCAM1S1PR4

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-113194721-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2024-03-01 CN disclosed
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-113347883-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2023-11-03 CN disclosed