SCHEMBL7989229

SCHEMBL7989229

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.54
PSMD14 O00487 1/20 0.54
HPGD P15428 1/20 0.54
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
AURKA O14965 3/20 0.47
HPGDS O60760 1/20 0.47
LMNA P02545 3/20 0.47

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
SCHEMBL7977664 0.91 MAPK1 (0.55) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7977574 0.91 NPC1 (0.49) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7988925 0.90 MAPK1 (0.50) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7991768 0.90 MEN1 (0.56) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7989403 0.89 AURKA (0.51) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7989929 0.89 MAPT (0.58) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7977759 0.89 MEN1 (0.57) MEN1KMT2AMAPTGAAMAPK1
Hydrochloric Acid SCHEMBL7992208 0.89 MEN1 (0.57) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7991819 0.89 MEN1 (0.52) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL7991779 0.89 AURKA (0.49) MEN1KMT2AMAPTGAAMAPK1

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