SCHEMBL574202

SCHEMBL574202

COc1cc(N(C(=O)OC(C)(C)C)C2CCNCC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
EHMT2 Q96KQ7 1/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 6/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
S1PR4 O95977 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL574274 0.84 EHMT2 (0.39) KMT2AEHMT2MEN1
SCHEMBL573693 0.83 QPCT (0.39) LMNAEHMT2ALDH1A1MAPT
SCHEMBL4439400 0.81 POLB (0.40) LMNAKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4433895 0.81 KDM4E (0.39) LMNAKMT2AALDH1A1GAAMEN1
SCHEMBL4434425 0.81 KDM4E (0.39) LMNAKMT2AALDH1A1GAAL3MBTL1
SCHEMBL4438391 0.79 KMT2A (0.36) LMNAKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4436014 0.78 TACR1 (0.38) KMT2AMEN1MAPT
SCHEMBL4444516 0.78 MAPK1 (0.40) LMNAKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4434450 0.78 TACR1 (0.38) KMT2AALDH1A1HTTL3MBTL1MEN1
SCHEMBL4437504 0.77 MAPT (0.45) LMNAKMT2AALDH1A1MEN1MAPT

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
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed