SCHEMBL7991876

SCHEMBL7991876

CC(C)(C)c1ccc(-c2nc(C(=O)O)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.59
MMP2 P08253 5/20 0.45
MMP9 P14780 5/20 0.45
MMP8 P22894 5/20 0.45
MMP13 P45452 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CHEK2 O96017 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK14 Q16539 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7977743 0.90 MAPT (0.54) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7989517 0.88 MAPT (0.49) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7977380 0.86 MEN1 (0.56) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7988654 0.86 MMP2 (0.57) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7977722 0.85 NPBWR1 (0.53) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7977732 0.84 MAPT (0.56) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7988678 0.84 MAPK14 (0.61) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7991834 0.84 MAPK14 (0.61) NPBWR1MMP2MMP9MMP8MMP13
SCHEMBL7977701 0.83 MAPT (0.59) NPBWR1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7994957 0.81 GCGR (0.57) MAPK14MAPK13ALOX5MAPK12MAPK11

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