SCHEMBL25976265

SCHEMBL25976265

CCOCCOc1ccc(CNc2nc(Cl)ncc2I)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA2D1 P54289 1/20 0.37
SLC26A6 Q9BXS9 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
NCF1 P14598 2/20 0.36
KDM4E B2RXH2 3/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP6 P55212 1/20 0.36
PDE2A O00408 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30462002 0.86 CCNE2 (0.43) CCNE2CCNE1CDK2SMN1; SMN2LMNA
SCHEMBL26627877 0.86 CCNE2 (0.43) CCNE2CCNE1CDK2SMN1; SMN2LMNA
SCHEMBL29133952 0.84 CCNE2 (0.55) CCNE2CCNE1CDK2LMNA
SCHEMBL30661275 0.84 CCNE2 (0.55) CCNE2CCNE1CDK2LMNA
SCHEMBL25976929 0.78 SLC26A6 (0.41) L3MBTL1SLC26A6PDE3BPDE3AP2RY12
SCHEMBL26627837 0.77 PDE4A (0.44) CCNE2CCNE1CDK2SMN1; SMN2LMNA
SCHEMBL15584951 0.76 APP (0.55) LMNAKDM4ERAB9A
SCHEMBL25976268 0.76 KDM4E (0.41) CCNE1CDK2SMN1; SMN2KDM4E
SCHEMBL3646724 0.71 LMNA (0.39) LMNAL3MBTL1
SCHEMBL29019899 0.70 CCNE2 (0.57) CCNE2CCNE1CDK2LMNA

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-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed