SCHEMBL15577280

SCHEMBL15577280

CCOC(=O)C(C#N)C1(c2ccccc2)CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
OPRM1 P35372 8/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNA3 P22001 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PIN1 Q13526 1/20 0.37
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL19357459 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL625405 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15577194 0.85 NPSR1 (0.45) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL6264708 0.83 OPRM1 (0.43) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15862872 0.82 GAA (0.41) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15577268 0.79 GAA (0.42) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL4407528 0.78 TSHR (0.47) OPRM1OPRD1OPRK1
SCHEMBL19031287 0.77 HDAC4 (0.43) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL15011161 0.76 SLC6A4 (0.46) SMN1; SMN2MEN1KMT2AGAAOPRM1
SCHEMBL627890 0.76 OPRM1 (0.43) SMN1; SMN2MEN1KMT2AGAAOPRM1

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-2014041349-A1 TETRAHYDROPYRAN-4-YLETHYLAMINO- OR TETRAHYDROPYRANYL-4-ETHYLOXY-PYRIMIDINES OR -PYRIDAZINES AS ISOPRENYLCYSTEINCARBOXYMETHYL TRANSFERASE INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2014-03-20 WO disclosed
WO-2014041349-A1 TETRAHYDROPYRAN-4-YLETHYLAMINO- OR TETRAHYDROPYRANYL-4-ETHYLOXY-PYRIMIDINES OR -PYRIDAZINES AS ISOPRENYLCYSTEINCARBOXYMETHYL TRANSFERASE INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2014-03-20 WO disclosed