SCHEMBL11657606

SCHEMBL11657606

CCCCNC(=O)NCCCN(CC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 4/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 6/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
EPHX1 P07099 3/20 0.52
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
GFER P55789 2/20 0.50
HPGD P15428 1/20 0.50
GLA P06280 1/20 0.49
POLB P06746 1/20 0.48
ALOX12 P18054 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL12513507 0.87 KMT2A (0.65) KMT2AMEN1MAPTHTTGAA
SCHEMBL9180518 0.86 KMT2A (0.72) KMT2AMEN1MAPTHTTGAA
SCHEMBL11663104 0.82 KMT2A (0.54) KMT2AMEN1MAPTHTTGAA
SCHEMBL11661091 0.81 ACHE (0.54) KMT2AMEN1MAPTHTTGAA
SCHEMBL2698252 0.79 TSHR (0.55) KMT2AMEN1MAPTHTTGAA
SCHEMBL8747512 0.78 KMT2A (0.50) KMT2AMEN1MAPTHTTGAA
SCHEMBL13151453 0.78 MEN1 (0.82) KMT2AMEN1MAPTHTTGAA
SCHEMBL8761454 0.78 KMT2A (0.49) KMT2AMEN1MAPTHTTGAA
SCHEMBL4481666 0.77 TSHR (0.53) NPC1RAB9ATSHR
Iodide SCHEMBL11575951 0.77 TSHR (0.53) KMT2AMEN1MAPTHTTGAA

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-4119621-A Azo dyes having a benzoisothiazolyl diazo component BASF AKTIENGESELLSCHAFT (DE) 1978-10-10 US disclosed