SCHEMBL7805338

SCHEMBL7805338

CCOc1ccc(C(N)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
FFAR1 O14842 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7801267 0.90 MAPT (0.47) MAPTKMT2AMEN1FFAR1PTGS2
SCHEMBL10193915 0.90 MAPT (0.48) MAPTKMT2AMEN1FFAR1PTGS2
SCHEMBL7801278 0.85 NFE2L2 (0.55) MAPTKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7787525 0.84 NFE2L2 (0.53) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10155789 0.84 MAPT (0.55) MAPTKMT2AMEN1FFAR1ALDH1A1
SCHEMBL7805696 0.83 LMNA (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7795494 0.80 HTT (0.54) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7805557 0.77 TSHR (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7801992 0.77 ALOX5 (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL1985000 0.77 CHRNB2 (0.65) MAPTKMT2AMEN1PTGS2ALDH1A1

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed