SCHEMBL25035462

SCHEMBL25035462

O=NN1CCCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 3/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 5/20 0.32
USP2 O75604 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL25035461 0.92 POLB (0.38) KDM4EPOLBKMT2AALDH1A1ATM
SCHEMBL24962628 0.70
SCHEMBL1169615 0.67
SCHEMBL11507080 0.67
SCHEMBL3225586 0.67
SCHEMBL606668 0.67
SCHEMBL19249449 0.66 POLB (0.37) KDM4EPOLBKMT2AALDH1A1ATM
SCHEMBL3582356 0.66 POLB (0.40) KDM4EPOLBKMT2AALDH1A1ATM
SCHEMBL60409 0.64 KDM4E (0.33) KDM4EPOLBHPGDALDH1A1
SCHEMBL6245109 0.64 KDM4E (0.33) KDM4EPOLBHPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed