SCHEMBL7699510

SCHEMBL7699510

CC(C)(C)c1cc(Nc2nc3cc4ccccc4cc3nc2Cl)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.56
DDR2 Q16832 3/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ABL1 P00519 3/20 0.51
KIT P10721 3/20 0.51
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
MAPK9 P45984 1/20 0.39

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
SCHEMBL7691122 0.84 MAPK14 (0.50) MAPK14DDR2LMNASMN1; SMN2MAPT
SCHEMBL7694596 0.83 MAPK14 (0.56) MAPK14DDR2ABL1KITMAPK13
SCHEMBL7694545 0.74 MAPK14 (0.48) MAPK14DDR2LMNASMN1; SMN2ABL1
SCHEMBL12245428 0.72 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK13
SCHEMBL3259418 0.72 MAPK14 (0.53) MAPK14DDR2ABL1KITMAPK9
SCHEMBL12245436 0.72 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK13
SCHEMBL12245435 0.72 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK13
SCHEMBL3260008 0.71 ABL1 (0.52) MAPK14DDR2ABL1KITHTT
SCHEMBL3171750 0.71 MAPK14 (0.58) MAPK14DDR2LMNASMN1; SMN2ABL1
SCHEMBL5732947 0.70 MAPK14 (1.00) MAPK14DDR2ABL1MAPK11

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-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed