SCHEMBL7991748

SCHEMBL7991748

CCOc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.50
PTGS2 P35354 1/20 0.47
MAPT P10636 6/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
MAOB P27338 1/20 0.45
NFKB1 P19838 1/20 0.45
STAT1 P42224 1/20 0.45
NPBWR1 P48145 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45

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
SCHEMBL7977720 0.89 AR (0.52) CHEK2PTGS2MAPTMEN1KMT2A
SCHEMBL7991660 0.89 MAPT (0.49) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7977701 0.87 MAPT (0.59) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7977743 0.87 MAPT (0.54) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7977380 0.83 MEN1 (0.56) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7988654 0.83 MMP2 (0.57) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7992024 0.81 AR (0.58) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL7991834 0.81 MAPK14 (0.61) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7988678 0.81 MAPK14 (0.61) CHEK2MAPTMEN1KMT2ALMNA
SCHEMBL7977732 0.81 MAPT (0.56) CHEK2MAPTMEN1KMT2ALMNA

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed