SCHEMBL11554698

SCHEMBL11554698

CC(C)c1ccc(N2CCOCC2)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 5/20 0.49
MAPT P10636 4/20 0.49
LGMN Q99538 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 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
SCHEMBL25870772 0.87 LGMN (0.61) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL13450397 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL14200387 0.82 NPC1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL22296418 0.82 MAPT (0.58) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1104672 0.82 SMN1; SMN2 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL23190660 0.81 MAPT (0.56) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL27439671 0.81 NPC1 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL11555480 0.80 KDM4E (0.41) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL15703095 0.79 HIF1A (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL14200352 0.79 MAPT (0.43) ALDH1A1KDM4ELMNASMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4133672-A (Aminophenyl)morpholines and use thereof UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US claimed
US-4133673-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4133672-A (Aminophenyl)morpholines and use thereof UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4126442-A O-Phosphoroamidophenylmorpholine compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORP. (US) 1978-11-21 US disclosed