SCHEMBL7988263

SCHEMBL7988263

CC(=O)OCc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.44
NPBWR1 P48145 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
RAB9A P51151 3/20 0.41
MMP13 P45452 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
RIPK2 O43353 1/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL7992017 0.87 NPBWR1 (0.42) NPBWR1MEN1KMT2AMMP2MMP9
SCHEMBL7977743 0.85 MAPT (0.54) CHEK2NPBWR1MEN1KMT2AMMP2
SCHEMBL7989973 0.84 GCGR (0.43) CHEK2MEN1KMT2AALDH1A1ALOX5
SCHEMBL7977380 0.82 MEN1 (0.56) CHEK2NPBWR1MEN1KMT2AMMP2
SCHEMBL7988654 0.81 MMP2 (0.57) CHEK2NPBWR1MEN1KMT2AMMP2
SCHEMBL7977701 0.81 MAPT (0.59) CHEK2NPBWR1MEN1KMT2AMMP2
SCHEMBL7977715 0.81 MAPT (0.51) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL7991748 0.81 CHEK2 (0.50) CHEK2NPBWR1MEN1KMT2AMMP2
SCHEMBL7991834 0.79 MAPK14 (0.61) CHEK2NPBWR1MEN1KMT2AMMP2
SCHEMBL7977732 0.79 MAPT (0.56) CHEK2NPBWR1MEN1KMT2AMMP2

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