SCHEMBL7862101

SCHEMBL7862101

COc1cccc(OC)c1C(=O)Nc1ccc(OCCNC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
GAA P10253 2/20 0.57
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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 SCHEMBL7870728 0.86 SMN1; SMN2 (0.71) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL8015894 0.85 SMN1; SMN2 (0.70) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL7862120 0.84 SMN1; SMN2 (0.62) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL7870760 0.83 SMN1; SMN2 (0.71) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL7869883 0.83 SMN1; SMN2 (0.67) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL7866953 0.83 SMN1; SMN2 (0.67) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL7869899 0.83 SMN1; SMN2 (0.74) SMN1; SMN2GAATSHRLMNAMAPT
Hydrochloric Acid SCHEMBL7862199 0.82 SMN1; SMN2 (0.66) SMN1; SMN2GAATSHRLMNAMAPT
Hydrochloric Acid SCHEMBL7862098 0.81 SMN1; SMN2 (0.72) SMN1; SMN2GAATSHRLMNAMAPT
SCHEMBL7866981 0.81 SMN1; SMN2 (0.65) SMN1; SMN2GAATSHRLMNAMAPT

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-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed