SCHEMBL5247652

SCHEMBL5247652

Cc1ccc(N(C)c2ncnc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EGFR P00533 5/20 0.41
CSF1R P07333 5/20 0.41
LMNA P02545 5/20 0.39
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ACHE P22303 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL5244192 0.88 MAPT (0.43) MAPTMEN1KMT2AEGFRCSF1R
SCHEMBL5244451 0.87 MAPT (0.58) MAPTMEN1KMT2AEGFRCSF1R
SCHEMBL2019674 0.85 CA1 (0.43) MAPTMEN1KMT2AEGFRCSF1R
SCHEMBL17815794 0.84 MAPT (0.43) MAPTMEN1KMT2ACSF1RLMNA
SCHEMBL17815790 0.83 PRMT1 (0.43) MAPTMEN1KMT2ALMNAHTT
SCHEMBL8078419 0.79 LMNA (0.40) MAPTMEN1KMT2ALMNAHTT
SCHEMBL5243561 0.75 EGFR (0.46) EGFRCSF1RALDH1A1PDGFRBKDR
SCHEMBL9124007 0.72 ALDH1A1 (0.40) MAPTMEN1KMT2ALMNAHTT
SCHEMBL304909 0.71 CA1 (0.49) MAPTKMT2ALMNAHTTNPC1
SCHEMBL2542634 0.70 LMNA (0.43) MAPTMEN1KMT2ALMNAHTT

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-1848506-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES Attenuon, LLC (US) 2007-10-31 EP disclosed
WO-2006089298-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES ATTENUON, LLC (US) 2006-08-24 WO disclosed