SCHEMBL17119894

SCHEMBL17119894

O=C(O)CCCCCNc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 4/20 0.49
EPHX1 P07099 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NR4A2 P43354 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL4886217 0.85 CDC25A (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL1672450 0.82 TOP2A (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL22083438 0.81 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL20910938 0.80 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL25718059 0.78 HPGD (0.60) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL27927077 0.78 CNR1 (0.52) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL592088 0.76 KMT2A (0.61) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL18760400 0.76 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL2315443 0.76 MAPT (0.50) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL25718433 0.76 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1HPGDKDM4E

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-20150268246-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2015-09-24 US disclosed