SCHEMBL7869947

SCHEMBL7869947

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GFER P55789 1/20 0.46
EPHX2 P34913 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
SCHEMBL8015894 0.88 SMN1; SMN2 (0.70) SMN1; SMN2TSHRLMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL7870728 0.86 SMN1; SMN2 (0.71) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL7869883 0.86 SMN1; SMN2 (0.67) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL7870760 0.86 SMN1; SMN2 (0.71) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL7866953 0.86 SMN1; SMN2 (0.67) SMN1; SMN2TSHRLMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL7862199 0.85 SMN1; SMN2 (0.66) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL7868735 0.84 SMN1; SMN2 (0.68) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL8016819 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL7862101 0.81 SMN1; SMN2 (0.67) SMN1; SMN2TSHRLMNAMAPTRAB9A
SCHEMBL7869899 0.81 SMN1; SMN2 (0.74) SMN1; SMN2TSHRLMNAMAPTRAB9A

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