SCHEMBL7869966

SCHEMBL7869966

CCNCCOc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.59
RAB9A P51151 10/20 0.50
NPC1 O15118 9/20 0.50
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 4/20 0.48
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ATM Q13315 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 SCHEMBL7868792 0.99 BCAT2 (0.57) BCAT2RAB9ANPC1KMT2AMEN1
SCHEMBL7867119 0.85 HTT (0.60) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL7866966 0.85 BCAT2 (0.57) BCAT2RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL7866960 0.84 HTT (0.58) RAB9ANPC1KMT2AMEN1TP53
Hydrochloric Acid SCHEMBL7868707 0.84 BCAT2 (0.56) BCAT2RAB9ANPC1KMT2AMEN1
SCHEMBL7870802 0.84 BCAT2 (0.52) BCAT2RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL7867047 0.83 BCAT2 (0.51) BCAT2RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL7868795 0.76 BCAT2 (0.57) BCAT2RAB9ANPC1KMT2AMEN1
SCHEMBL7862077 0.76 HTT (0.63) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL7870660 0.76 HTT (0.56) RAB9ANPC1KMT2AMEN1TP53

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