SCHEMBL8716770

SCHEMBL8716770

Cc1nc(N(C)CCOc2ccccc2C=O)sc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
RAD52 P43351 1/20 0.35
PPARG P37231 1/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL8716296 0.84 DHODH (0.46) ALDH1A1SMN1; SMN2HTTHPGDPTGDR2
SCHEMBL6806605 0.83 PPARG (0.46) ALDH1A1SMN1; SMN2HTTHPGDKDM4E
SCHEMBL8717050 0.79 RAB9A (0.48) ALDH1A1SMN1; SMN2HTTHPGDMEN1
SCHEMBL8717052 0.78 PPARG (0.54) ALDH1A1SMN1; SMN2HTTHPGDPTGDR2
SCHEMBL6806878 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTHPGDPTGDR2
SCHEMBL6800145 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTHPGDHTR7
SCHEMBL8719505 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTHPGDPTGDR2
SCHEMBL8716783 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTHPGDPTGDR2
SCHEMBL12521884 0.72 PPARG (0.70) HPGDPOLBPPARG
SCHEMBL1851767 0.72 PPARG (0.70) HPGDPOLBPPARG

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
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed