SCHEMBL7988913

SCHEMBL7988913

COc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
GAA P10253 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
PSMD14 O00487 1/20 0.53
HPGD P15428 1/20 0.53
HK1 P19367 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
LMNA P02545 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 3/20 0.52
MGAM O43451 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
RECQL P46063 2/20 0.52

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
Hydrochloric Acid SCHEMBL7992063 0.99 MAPT (0.53) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL7978116 0.92 LMNA (0.61) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL7977728 0.91 MAPT (0.51) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL7988812 0.91 MAPT (0.51) MAPTMEN1KMT2AGAAL3MBTL1
Hydrochloric Acid SCHEMBL7977432 0.90 MAPT (0.50) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL7991908 0.90 MAPT (0.50) MAPTMEN1KMT2AGAAL3MBTL1
Hydrochloric Acid SCHEMBL7991797 0.90 MAPT (0.50) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL7988571 0.90 MAPT (0.55) MAPTMEN1KMT2AGAAL3MBTL1
Hydrochloric Acid SCHEMBL7977757 0.89 MEN1 (0.53) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL7978174 0.89 MAPT (0.56) MAPTMEN1KMT2AGAAL3MBTL1

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