SCHEMBL7989904

SCHEMBL7989904

COc1ccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 3/20 0.54
HTT P42858 3/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
STAT1 P42224 1/20 0.54
NPBWR1 P48145 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
PIN1 Q13526 1/20 0.53
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 4/20 0.50

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
SCHEMBL7989208 0.92 PIN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7991660 0.89 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7977701 0.88 MAPT (0.59) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7995168 0.87 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7988193 0.86 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7978081 0.86 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7988557 0.85 PIN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL2954980 0.84 ALOX5 (0.60) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7988400 0.83 PIN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7989018 0.81 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2GAA

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