SCHEMBL29512901

SCHEMBL29512901

Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
PARP1 P09874 2/20 0.47
KIF11 P52732 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CA9 Q16790 1/20 0.46
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
DRD2 P14416 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL276741 1.00 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL277585 0.86 MMP12 (0.65) MMP12PARP1CA9ALDH1A1MAPT
SCHEMBL30343101 0.86 MMP12 (0.65) MMP12PARP1CA9ALDH1A1MAPT
SCHEMBL6297092 0.83 CYP11B1 (0.64) MMP12CYP11B1CYP11B2KIF11PDE3B
SCHEMBL6302322 0.83 ALDH1A1 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL6297460 0.83 CYP11B1 (0.44) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL28575263 0.83 CA9 (0.51) MMP12CYP11B1CYP11B2KIF11PDE3B
SCHEMBL6295828 0.80 CYP11B1 (0.44) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL6295568 0.80 ATM (0.50) MMP12CYP11B1CYP11B2KIF11PDE3B
SCHEMBL9437792 0.79 DRD4 (0.53) MMP12CYP11B1CYP11B2PARP1DRD4

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
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
CN-117924247-A Triazole derivative with liver cancer cell activity inhibiting function, and preparation method and application thereof 河南科技大学 2024-04-26 CN disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed