SCHEMBL7989535

SCHEMBL7989535

COc1ccc(-c2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 2/20 0.54
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
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL7989548 0.93 MEN1 (0.55) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7988792 0.91 MEN1 (0.52) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7977680 0.91 MEN1 (0.54) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7989929 0.88 MAPT (0.58) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7989004 0.87 MEN1 (0.58) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7977759 0.85 MEN1 (0.57) MAPK1L3MBTL1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7992208 0.85 MEN1 (0.57) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7989593 0.84 MEN1 (0.56) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7977354 0.84 MEN1 (0.55) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7977714 0.84 MEN1 (0.55) MAPK1L3MBTL1MEN1KMT2AMAPT

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