SCHEMBL28158993

SCHEMBL28158993

CCOc1nc(OCC)nc(N2CCOCC2)n1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.93
MAPK1 P28482 3/20 0.93
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
TSHR P16473 2/20 0.63
POLB P06746 3/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HSD17B10 Q99714 3/20 0.55
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 2/20 0.51
GALR3 O60755 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL9730677 0.95 SMN1; SMN2 (0.97) SMN1; SMN2MAPK1ALDH1A1L3MBTL1TSHR
SCHEMBL9418627 0.87 TSHR (0.73) SMN1; SMN2MAPK1ALDH1A1L3MBTL1TSHR
SCHEMBL8277453 0.79 MAPK1 (0.73) SMN1; SMN2MAPK1ALDH1A1L3MBTL1POLB
SCHEMBL10970203 0.79 ALDH1A1 (0.63) SMN1; SMN2MAPK1ALDH1A1L3MBTL1TSHR
SCHEMBL11882051 0.78 MAPK1 (0.69) SMN1; SMN2MAPK1ALDH1A1TSHRPOLB
SCHEMBL11873039 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1ALDH1A1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL3750188 0.78 MAPK1 (0.71) SMN1; SMN2MAPK1ALDH1A1L3MBTL1POLB
SCHEMBL1391802 0.76 MEN1 (1.00) SMN1; SMN2MAPK1L3MBTL1KMT2AMEN1
SCHEMBL1310082 0.76 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1ALDH1A1L3MBTL1POLB
SCHEMBL10970031 0.75 ALDH1A1 (0.58) SMN1; SMN2MAPK1ALDH1A1L3MBTL1TSHR

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
CN-106930093-A A kind of fabric coating efficient halogen-free environmental protection fire retarding agent and preparation method thereof 中山康诺德新材料有限公司 2017-07-07 CN disclosed