SCHEMBL7995795

SCHEMBL7995795

COc1ccc(-c2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
PSMD14 O00487 1/20 0.51
HPGD P15428 1/20 0.51
HK1 P19367 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
AURKA O14965 2/20 0.48
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45

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 SCHEMBL7977674 0.99 KMT2A (0.51) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7989394 0.99 KMT2A (0.53) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7989878 0.89 GAA (0.49) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7988176 0.89 ALDH1A1 (0.44) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7977964 0.89 LMNA (0.49) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7977725 0.88 FGFR1 (0.42) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7977735 0.88 LMNA (0.50) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7989081 0.88 GAA (0.45) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL7989929 0.85 MAPT (0.58) KMT2AMEN1MAPTGAAL3MBTL1
Hydrochloric Acid SCHEMBL7992208 0.85 MEN1 (0.57) KMT2AMEN1MAPTGAAL3MBTL1

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