SCHEMBL7869735

SCHEMBL7869735

Cc1cc(NC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ABCG2 Q9UNQ0 5/20 0.54
ABCC1 P33527 3/20 0.54
ABCB1 P08183 1/20 0.54
PTGS2 P35354 3/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL629576 0.86 MAPT (0.48) MEN1KMT2AABCG2ABCC1ABCB1
SCHEMBL629558 0.82 KMT2A (0.48) MEN1KMT2AABCG2ABCC1ABCB1
SCHEMBL10559120 0.75 MEN1 (0.62) MEN1KMT2AABCG2ABCC1ABCB1
SCHEMBL21848229 0.71 GAA (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL25230316 0.70 TXNRD1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL386231 0.70 LMNA (0.61) MEN1KMT2AABCG2ABCC1ABCB1
SCHEMBL13838818 0.70 LMNA (0.57) MEN1KMT2AABCG2PTGS2ALDH1A1
SCHEMBL12574434 0.69 MAPK1 (0.47) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL7878184 0.69 MEN1 (0.55) MEN1KMT2AABCG2ABCC1ABCB1
SCHEMBL1053271 0.68 FYN (0.72)

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
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed