SCHEMBL21393792

SCHEMBL21393792

C=CC/C=N\c1nc(NCCOC)n(C)c1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
CDK5 Q00535 6/20 0.32
CDK5R1 Q15078 6/20 0.32
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
HCAR3 P49019 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL21393598 0.85 PDE7A (0.30)
SCHEMBL21393820 0.82 GAA (0.30)
SCHEMBL21393786 0.81 POLB (0.31) KDM4EALDH1A1POLB
SCHEMBL21393793 0.67
SCHEMBL21393791 0.64 GAA (0.30)
SCHEMBL21393891 0.58
SCHEMBL21363536 0.57 TRPA1 (0.44) KDM4EPOLBLMNAHTT
SCHEMBL21393579 0.57 LMNA (0.44) KDM4EPOLBLMNAHTTTRIM33
SCHEMBL25165800 0.56 TRPA1 (0.48) KDM4EPOLBLMNAHTT
SCHEMBL21393696 0.55 KDM4E (0.36) KDM4EALDH1A1CDK5

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed