SCHEMBL7869890

SCHEMBL7869890

CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
HTT P42858 2/20 0.55
HRH3 Q9Y5N1 3/20 0.54
MET P08581 1/20 0.54
KCNH2 Q12809 1/20 0.53
MCHR1 Q99705 3/20 0.52
KDR P35968 4/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL7866940 0.82 HTT (0.58) HTTMCHR1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7868785 0.81 HTT (0.57) HTTMCHR1KMT2AMEN1ALDH1A1
SCHEMBL7867119 0.81 HTT (0.60) HTTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7862077 0.81 HTT (0.63) HTTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8015660 0.81 HTT (0.54) HTTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7868799 0.80 HTT (0.58) HTTKMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7866960 0.80 HTT (0.58) HTTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7870660 0.78 HTT (0.56) HTTKMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7867109 0.78 HTT (0.56) HTTHRH3MCHR1KDRKMT2A
Hydrochloric Acid SCHEMBL7873984 0.78 KDM4E (0.61) HTTKMT2AMEN1ALDH1A1MAPK1

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