SCHEMBL8218682

SCHEMBL8218682

CS(=O)(=O)C/C(N)=C/C(=N)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH2 P05091 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
MGLL Q99685 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
AKR1C3 P42330 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8092873 0.70 KDM4E (0.31) KDM4E
SCHEMBL14654286 0.70 L3MBTL1 (0.52) LMNASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL21469842 0.66 SMN1; SMN2 (0.42) LMNASMN1; SMN2TSHRALDH1A1FAAH
Sulfuric Acid SCHEMBL31086526 0.65 LMNA (0.50) LMNASMN1; SMN2TSHRKDM4EMAPK1
Sulfuric Acid SCHEMBL10413938 0.65 LMNA (0.50) LMNASMN1; SMN2TSHRKDM4EMAPK1
SCHEMBL1755619 0.65 POLB (0.33)
SCHEMBL14943820 0.64 LMNA (0.36) LMNASMN1; SMN2TSHRALDH1A1FAAH
SCHEMBL16121719 0.62 LMNA (0.39) LMNASMN1; SMN2TSHRALDH1A1FAAH
SCHEMBL1175599 0.61
SCHEMBL21266696 0.61 HTT (0.43) LMNASMN1; SMN2TSHRALDH1A1FAAH

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed