SCHEMBL4096326

SCHEMBL4096326

NC(=S)N(CCO)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
PLAU P00749 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL3973752 0.81 ALDH1A1 (0.46) RAB9AALDH1A1TP53TSHRMAPK1
SCHEMBL11816669 0.81 ALDH1A1 (0.52) CYP2C19ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3971781 0.79 ALDH1A1 (0.46) POLBCYP2C19ALDH1A1HDAC3HDAC4
SCHEMBL3972855 0.79 SMN1; SMN2 (0.47) PLAUIDO1ALDH1A1HDAC3HDAC4
SCHEMBL4086338 0.78
SCHEMBL3969996 0.77 MLYCD (0.43) PLAUCYP2C19IDO1ALDH1A1MLYCD
SCHEMBL4087920 0.77 MEN1 (0.39) NPC1IDO1MLYCDNOS1
SCHEMBL3973730 0.75 ADRA2A (0.46) POLBALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4086856 0.75 GBA1 (0.44) PLAUNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3968468 0.74 MAPK1 (0.40) NPC1RAB9AALDH1A1HDAC3HDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053448-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed