SCHEMBL2187668

SCHEMBL2187668

N=C(NC(=O)c1csc(N2CCOCC2)n1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
SLC40A1 Q9NP59 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CASR P41180 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL2187574 0.85 GAA (0.44) KMT2AMEN1MAPK1L3MBTL1KDM4E
SCHEMBL2187686 0.81 SMN1; SMN2 (0.46) KMT2AMEN1MAPK1L3MBTL1KDM4E
SCHEMBL2187370 0.79 SCD (0.48) KMT2AMEN1GAASLC40A1NPC1
SCHEMBL2187394 0.75 IRAK4 (0.49) L3MBTL1
SCHEMBL2187514 0.75 SMN1; SMN2 (0.46) KDM4ESLC40A1NPC1RAB9ASMN1; SMN2
SCHEMBL2189162 0.74 CASP8 (0.56) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2186970 0.73 NPC1 (0.49) KMT2AMEN1KDM4EGAASLC40A1
SCHEMBL2187048 0.73 NPC1 (0.63) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL2186689 0.73 NPC1 (0.52) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL16767096 0.72 CSNK1E (0.53) L3MBTL1

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
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed