SCHEMBL7869933

SCHEMBL7869933

O=C(Nc1ccc(O)cc1)C1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
ESR2 Q92731 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ME3 Q16798 1/20 0.56
NAMPT P43490 2/20 0.54
LMNA P02545 2/20 0.53
PTPN1 P18031 1/20 0.53
GAA P10253 2/20 0.53
GFER P55789 1/20 0.51
BLM P54132 1/20 0.51
MGLL Q99685 1/20 0.51
HPGD P15428 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 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
SCHEMBL14618675 0.87 NAMPT (0.69) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL13460461 0.85 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL3093740 0.85 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL27383392 0.85 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL30799179 0.85 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL9940282 0.84 HPGD (0.69) KMT2AMEN1ALDH1A1MAPTME3
SCHEMBL31198189 0.84 PTPN1 (0.68) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL9851155 0.82 PTPN1 (0.77) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL29057710 0.82 PTPN1 (0.77) KMT2AMEN1ALDH1A1MAPTALOX15
SCHEMBL3093727 0.82 CYP2C9 (0.61) KMT2AMEN1ALDH1A1MAPTNAMPT

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