SCHEMBL28751643

SCHEMBL28751643

O=CC(CBr)c1ccccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1C3 P42330 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
LMNA P02545 3/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL27536638 0.78 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL27811258 0.75 GSK3B (0.49) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL28661298 0.72 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL29809671 0.72 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL4547926 0.72 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL19689735 0.70 DPP4 (0.48) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL9424119 0.70 LMNA (0.62) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL18889555 0.69 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL21202392 0.69 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL17844326 0.69 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1MAPTNPC1

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
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN disclosed