SCHEMBL6013689

SCHEMBL6013689

CCOc1ccc(NC(=O)c2ccccc2)cc1OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MAPT P10636 4/20 0.70
NPC1 O15118 5/20 0.65
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL11328524 0.89 HDAC1 (0.72) MEN1KMT2AMAPTNPC1HDAC1
SCHEMBL9165339 0.87 MEN1 (0.64) MEN1KMT2AMAPTNPC1HDAC1
SCHEMBL11316169 0.87 TDP1 (0.68) MEN1KMT2AMAPTNPC1HDAC1
SCHEMBL11548021 0.84 NPC1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7961633 0.83 TDP1 (0.56) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL5492048 0.80 RAB9A (0.75) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7635847 0.80 NPC1 (0.84) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10294799 0.79 KMT2A (0.78) MEN1KMT2AMAPTNPC1RAB9A
Iodide SCHEMBL30758616 0.79 NPC1 (0.82) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10866671 0.79 KMT2A (0.58) MEN1KMT2AMAPTNPC1HDAC1

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
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed