SCHEMBL3718892

SCHEMBL3718892

O=[N+]([O-])c1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 3/20 0.59
APAF1 O14727 1/20 0.59
NSD2 O96028 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
THRB P10828 1/20 0.59
CASP3 P42574 1/20 0.59
GALK1 P51570 1/20 0.59
BLM P54132 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
SAE1 Q9UBE0 1/20 0.59
UBA2 Q9UBT2 1/20 0.59
PIK3CA P42336 4/20 0.56
HRH4 Q9H3N8 1/20 0.56
MAP3K12 Q12852 1/20 0.55
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL3719796 0.86 KMT2A (0.61) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL12562674 0.85 MAPT (0.61) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL12562672 0.85 MAPT (0.61) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL1822228 0.83 PIK3CA (0.73) KMT2AMAPTAPAF1NSD2LMNA
SCHEMBL3728412 0.82 KMT2A (0.83) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL31549907 0.80 KMT2A (0.65) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL4774559 0.78 KMT2A (0.48) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL629664 0.77 MAP3K12 (0.47) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL31205519 0.77 MAPT (0.52) KMT2AMEN1MAPTAPAF1NSD2
SCHEMBL13153214 0.77 KMT2A (0.74) KMT2AMEN1MAPTAPAF1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed