SCHEMBL11268627

SCHEMBL11268627

CCOC(=O)c1nc2ccccc2nc1SC(=NC(C)C)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OGFRL1 Q5TC84 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PRNP P04156 2/20 0.36
GAA P10253 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL11268619 1.00 KDM4E (0.42) KDM4EOPRM1OPRD1OPRK1OGFRL1
SCHEMBL11272379 0.80 ALDH1A1 (0.39) KDM4EPOLBSMN1; SMN2ALOX15TSHR
SCHEMBL11272377 0.80 ALDH1A1 (0.39) KDM4EPOLBSMN1; SMN2ALOX15TSHR
SCHEMBL11264388 0.78 CYP1A2 (0.39) KDM4EOPRM1OPRD1OPRK1OGFRL1
SCHEMBL11264392 0.78 CYP1A2 (0.39) KDM4EOPRM1OPRD1OPRK1OGFRL1
SCHEMBL11257108 0.75 KDM4E (0.39) KDM4EPOLBSMN1; SMN2ALOX15MEN1
SCHEMBL11257109 0.75 KDM4E (0.39) KDM4EPOLBSMN1; SMN2ALOX15MEN1
SCHEMBL11250168 0.75 SMN1; SMN2 (0.40) KDM4EPOLBSMN1; SMN2ALOX15TSHR
SCHEMBL11250171 0.75 SMN1; SMN2 (0.40) KDM4EPOLBSMN1; SMN2ALOX15TSHR
SCHEMBL11251471 0.75 ALDH1A1 (0.41) KDM4EPOLBSMN1; SMN2ALOX15TSHR

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
US-4349674-A Quinoalinyl esters of carbamimidothioic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-14 US disclosed