SCHEMBL16702172

SCHEMBL16702172

CC(=O)CCc1cc(Cl)ncc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.36
PLAU P00749 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32

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
SCHEMBL9938097 0.78 RECQL (0.33)
SCHEMBL22034340 0.77 NOS3 (0.42) MAPTALDH1A1SIRT6POLBGABRP
SCHEMBL16702151 0.75 RECQL (0.32) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL22262491 0.74 TYR (0.39)
SCHEMBL22262490 0.74 TYR (0.39)
SCHEMBL6856436 0.73 RECQL (0.39) LMNASIRT6POLBGABRPGABRD
SCHEMBL2185134 0.73
SCHEMBL30292600 0.70 SIRT6 (0.37) MAPTALDH1A1SIRT6POLBHPGD
SCHEMBL2185131 0.70 SIRT6 (0.37) MAPTALDH1A1SIRT6POLBHPGD
SCHEMBL8216031 0.70 AOC1 (0.52) IAPPMAPTALDH1A1LMNAL3MBTL1

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-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed