SCHEMBL7874103

SCHEMBL7874103

CCNCCOc1c(C)cc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
KDM4E B2RXH2 6/20 0.56
HPGD P15428 5/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 4/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.47
MRGPRX1 Q96LB2 3/20 0.43
RCE1 Q9Y256 1/20 0.41

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 SCHEMBL7862117 0.99 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7874023 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7870802 0.86 BCAT2 (0.52) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL7866860 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL7867047 0.85 BCAT2 (0.51) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7867119 0.84 HTT (0.60) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL7866960 0.83 HTT (0.58) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7862077 0.75 HTT (0.63) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7870660 0.75 HTT (0.56) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL7869916 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDKMT2AMEN1

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