SCHEMBL11782011

SCHEMBL11782011

Cc1cc(=O)n(CCC(=O)N(CCO)CCO)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 7/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ENPP3 O14638 2/20 0.33
ALPL P05186 2/20 0.33
XIAP P98170 2/20 0.33
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 1/20 0.32
PYGL P06737 1/20 0.30

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
SCHEMBL9697614 0.77 KMT2A (0.57) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11783219 0.74 L3MBTL1 (0.43) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13870743 0.65 L3MBTL1 (0.44) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8942474 0.64 L3MBTL1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1232870 0.63 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTPOLB
SCHEMBL9242263 0.63 L3MBTL1 (0.43) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20649485 0.62 ALDH1A1 (0.38) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL6680208 0.62 L3MBTL1 (0.51) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL696194 0.62 L3MBTL1 (0.48) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11404236 0.62 L3MBTL1 (0.82) L3MBTL1KMT2AMEN1SMN1; SMN2KDM4E

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-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed