SCHEMBL25328907

SCHEMBL25328907

COC(=O)c1c(OC)cc(Cl)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PLA2G2A P14555 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLCO1B1 Q9Y6L6 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
SCHEMBL24772939 0.86 GAA (0.53) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL14660349 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12479172 0.85 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12380495 0.84 KDM4E (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25151051 0.83 CYP3A4 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL23147132 0.81 KDM4E (0.53) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25330435 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2235859 0.78 KDM4E (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL27910334 0.76 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL28806451 0.75 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 EP disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed