SCHEMBL7866969

SCHEMBL7866969

COc1cc([N+](=O)[O-])ccc1OCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 7/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP19A1 P11511 3/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11815908 0.86 L3MBTL1 (0.58) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8114936 0.86 CYP19A1 (0.45) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL31666530 0.81 CYP19A1 (0.48) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3531728 0.81 CYP19A1 (0.45) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL6034041 0.80 KMT2A (0.55) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL29675123 0.80 FDPS (0.66) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL9369968 0.79 L3MBTL1 (0.52) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL1970119 0.79 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL7007132 0.79 MAPT (0.53) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL29619121 0.78 ALDH1A1 (0.43) ALDH1A1LMNARAB9AMEN1KMT2A

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