SCHEMBL31500509

SCHEMBL31500509

CCCCCNC(=O)c1cc(C)c(C)c(C(N)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NAAA Q02083 4/20 0.42
CNR1 P21554 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MLYCD O95822 1/20 0.39
LMNA P02545 1/20 0.39
MAOB P27338 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL31500520 0.72 LMNA (0.57) KDM4EHPGDMAPK1NPSR1L3MBTL1
SCHEMBL10867674 0.71 HPGD (0.58) KDM4EHPGDMAPK1NPSR1L3MBTL1
SCHEMBL699032 0.71 KDM4E (0.57) KDM4EHPGDL3MBTL1NAAAGPR84
SCHEMBL10863404 0.68 NAAA (0.61) L3MBTL1NAAAGPR84ALDH1A1SMN1; SMN2
SCHEMBL6536714 0.68 NAAA (0.61) L3MBTL1NAAAGPR84ALDH1A1SMN1; SMN2
SCHEMBL14815953 0.68 NAAA (0.57) HPGDL3MBTL1NAAAGPR84ALDH1A1
SCHEMBL30545065 0.68 HPGD (0.64) KDM4EHPGDMAPK1NPSR1L3MBTL1
SCHEMBL4495227 0.67 ALDH1A1 (0.59) KDM4EHPGDL3MBTL1NAAAGPR84
SCHEMBL9967794 0.67 HPGD (0.62) KDM4EHPGDMAPK1NPSR1L3MBTL1
SCHEMBL18896205 0.67 HDAC3 (0.77) KDM4EL3MBTL1NAAAGPR84ALDH1A1

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-2025078263-A1 MICROBIOCIDAL PYRIDYL PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-04-17 WO disclosed