SCHEMBL30799148

SCHEMBL30799148

O=C1COc2cc(I)ccc2N1

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
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
DRD2 P14416 5/20 0.46
ALDH1A1 P00352 3/20 0.45
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
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1B P35368 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
SCHEMBL8006749 1.00 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL633096 0.86 MMP12 (0.65) MMP12PARP1PDE3BPDE3AALDH1A1
SCHEMBL30336661 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL30053776 0.79 NR3C2 (0.57) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL2059233 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL3594625 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL276741 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL304249 0.79 DRD4 (0.56) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL1861248 0.79 NR3C2 (0.57) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL29512901 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11

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
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed