SCHEMBL8810072

SCHEMBL8810072

O=C1NC(Cc2cn(Cc3cc(F)cc(F)c3)c3ccccc23)C(=O)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP19A1 P11511 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL8811123 0.92 ALDH1A1 (0.51) PARP1ALDH1A1CYP19A1SMN1; SMN2LMNA
SCHEMBL8810585 0.90 PARP1 (0.51) PARP1ALDH1A1CYP19A1SMN1; SMN2LMNA
SCHEMBL8685513 0.88 CYP19A1 (0.47) ALDH1A1CYP19A1LMNAPOLBMEN1
SCHEMBL8814259 0.88 TNF (0.41) PARP1ALDH1A1CYP19A1SMN1; SMN2LMNA
SCHEMBL8809453 0.86 MPO (0.38) PARP1ALDH1A1CYP19A1SMN1; SMN2LMNA
SCHEMBL8810564 0.85 NPC1 (0.39) PARP1ALDH1A1CYP19A1SMN1; SMN2LMNA
SCHEMBL8811311 0.85 NPC1 (0.50) ALDH1A1CYP19A1SMN1; SMN2LMNAMGAM
SCHEMBL8810496 0.85 HTR6 (0.49) PARP1ALDH1A1CYP19A1LMNAHTT
SCHEMBL8813439 0.84 HTR6 (0.50) PARP1CYP19A1SMN1; SMN2LMNAPOLB
SCHEMBL8811671 0.84 CHRNB2 (0.51) PARP1POLBCHRNB2CHRNA7CHRNA4

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