SCHEMBL8813439

SCHEMBL8813439

Nc1ccc(Cn2cc(CC3NC(=O)SC3=O)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
PARP1 P09874 4/20 0.40
KMT2A Q03164 2/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNA7 P36544 3/20 0.39
CHRNA4 P43681 3/20 0.39
POLB P06746 2/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL8685513 0.91 CYP19A1 (0.47) HTR6KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL8810496 0.90 HTR6 (0.49) HTR6PARP1CYP19A1LMNAHTT
SCHEMBL8810585 0.89 PARP1 (0.51) PARP1KMT2APOLBCYP19A1MEN1
SCHEMBL8811671 0.89 CHRNB2 (0.51) PARP1CHRNB2CHRNA7CHRNA4POLB
SCHEMBL8811167 0.86 HTR6 (0.53) HTR6PARP1CHRNB2CHRNA7CHRNA4
SCHEMBL8812059 0.86 CYP19A1 (0.50) PARP1KMT2APOLBCYP19A1MEN1
SCHEMBL8811933 0.86 HTR6 (0.41) HTR6PARP1
SCHEMBL8814259 0.84 TNF (0.41) HTR6PARP1POLBCYP19A1LMNA
SCHEMBL8810072 0.84 PARP1 (0.41) PARP1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL8809696 0.84 PPARG (0.41) HTR6KMT2ACHRNB2CHRNA7CHRNA4

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
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed