SCHEMBL7869883

SCHEMBL7869883

COCCCNCCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
TSHR P16473 1/20 0.54
KDM4E B2RXH2 5/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
GFER P55789 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRB2 P07550 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
SCHEMBL8015894 0.95 SMN1; SMN2 (0.70) SMN1; SMN2TSHRKDM4ELMNAALDH1A1
SCHEMBL7868735 0.93 SMN1; SMN2 (0.68) SMN1; SMN2TSHRKDM4ELMNAALDH1A1
SCHEMBL7870760 0.91 SMN1; SMN2 (0.71) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL8016819 0.88 SMN1; SMN2 (0.72) SMN1; SMN2TSHRKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL7870728 0.88 SMN1; SMN2 (0.71) SMN1; SMN2TSHRKDM4ELMNAALDH1A1
SCHEMBL7869947 0.86 SMN1; SMN2 (0.65) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL7862101 0.83 SMN1; SMN2 (0.67) SMN1; SMN2TSHRKDM4ELMNAALDH1A1
SCHEMBL7866953 0.83 SMN1; SMN2 (0.67) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL7869899 0.83 SMN1; SMN2 (0.74) SMN1; SMN2TSHRLMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7862199 0.82 SMN1; SMN2 (0.66) SMN1; SMN2TSHRLMNAALDH1A1MAPT

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