SCHEMBL7869917

SCHEMBL7869917

COc1cccc(OC)c1C(=O)Nc1ccc(OCCNC(C)C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
MCHR1 Q99705 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL7874146 0.99 SMN1; SMN2 (0.49) SMN1; SMN2TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL7869909 0.91 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMAPTTP53MCHR1
Hydrochloric Acid SCHEMBL7869929 0.90 SMN1; SMN2 (0.51) SMN1; SMN2TSHRMAPTTP53MCHR1
Hydrochloric Acid SCHEMBL7874098 0.87 SMN1; SMN2 (0.47) SMN1; SMN2TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL7866910 0.85 ALDH1A1 (0.49) SMN1; SMN2TSHRMAPTTP53MCHR1
SCHEMBL7866953 0.84 SMN1; SMN2 (0.67) SMN1; SMN2TSHRMAPTTP53RAB9A
Hydrochloric Acid SCHEMBL7862199 0.83 SMN1; SMN2 (0.66) SMN1; SMN2TSHRMAPTTP53RAB9A
SCHEMBL7866950 0.81 LMNA (0.48) SMN1; SMN2TSHRMAPTMCHR1KDM4E
Hydrochloric Acid SCHEMBL7874134 0.80 LMNA (0.47) SMN1; SMN2TSHRMAPTMCHR1KDM4E
Hydrochloric Acid SCHEMBL7862092 0.79 MAPT (0.53) SMN1; SMN2TSHRTAS1R3TAS1R1TAS1R2

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