SCHEMBL5884130

SCHEMBL5884130

CCCON=Cc1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BPTF Q12830 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PANK3 Q9H999 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5883827 0.93 KMT2A (0.40) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884253 0.93 KMT2A (0.40) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884287 0.90 L3MBTL1 (0.37) KMT2AMEN1NPSR1GPR119MAPT
SCHEMBL5884268 0.89 MEN1 (0.43) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884554 0.89 MEN1 (0.39) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884258 0.88 LMNA (0.36) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5885056 0.88 LMNA (0.36) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884731 0.87 MEN1 (0.39) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884564 0.86 MEN1 (0.42) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL14191686 0.85 NR1I2 (0.38) KMT2AMEN1GPR119MAPTL3MBTL1

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed