SCHEMBL30898972

SCHEMBL30898972

Cn1nc(C(=O)O)cc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
BAZ2B Q9UIF8 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
APOBEC3A P31941 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
SCHEMBL25400936 0.82 MPO (0.40) KDM4EALDH1A1GAA
SCHEMBL22412003 0.82 BRD4 (0.34) KDM4EGRNSORT1ALDH1A1HTR2C
SCHEMBL19253466 0.81 KDM4E (0.31) KDM4EGRNSORT1HTR2CSLC6A4
SCHEMBL1461689 0.74 ALDH1A1 (0.41) KDM4EGRNSORT1ALDH1A1BAZ2B
SCHEMBL25408156 0.72 MAPK14 (0.46) KDM4EGRNSORT1ALDH1A1
SCHEMBL24537014 0.70 KDM4E (0.43) KDM4EALDH1A1POLBGAA
SCHEMBL22412218 0.69 LMNA (0.34) KDM4EALDH1A1
SCHEMBL21872232 0.68 BRD4 (0.36) KDM4EGRNSORT1HTR2CSLC6A4
SCHEMBL1739672 0.67 ALDH1A1 (0.58) KDM4EGRNSORT1ALDH1A1BAZ2B
SCHEMBL16629284 0.67 GRN (0.49) KDM4EGRNSORT1ALDH1A1HTR2C

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-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed