SCHEMBL8716296

SCHEMBL8716296

Cc1sc(N(C)CCOc2ccccc2C=O)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
HTR7 P34969 2/20 0.41
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8716770 0.84 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2HTTPTGDR2
SCHEMBL6808372 0.83 ATP4A (0.47) DHODHALDH1A1HPGDHTR7ATP4A
SCHEMBL8717050 0.79 RAB9A (0.48) DHODHALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8717052 0.78 PPARG (0.54) ALDH1A1HPGDSMN1; SMN2HTTPTGDR2
SCHEMBL6806878 0.77 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2HTTPTGDR2
SCHEMBL6805682 0.74 HTR7 (0.51) DHODHALDH1A1HPGDSMN1; SMN2HTR7
SCHEMBL8719505 0.74 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTPTGDR2
SCHEMBL8716783 0.73 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2HTTPTGDR2
SCHEMBL12520390 0.72 PPARG (0.70) HPGDPOLB
SCHEMBL1849619 0.72 PPARG (0.70) HPGDPOLB

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