SCHEMBL8813674

SCHEMBL8813674

O=C1NC(=Cc2cccc3c2ccn3Cc2cccc(F)c2)C(=O)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARP1 P09874 7/20 0.46
SLC2A1 P11166 1/20 0.43
HTR6 P50406 2/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MPO P05164 1/20 0.40
DBH P09172 1/20 0.40
CYP19A1 P11511 1/20 0.39
APP P05067 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
DNMT1 P26358 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
SCHEMBL8811190 0.93 PARP1 (0.47) TDP1ALDH1A1LMNASMN1; SMN2PARP1
SCHEMBL8811687 0.90 PARP1 (0.58) ALDH1A1LMNASMN1; SMN2PARP1HTR6
SCHEMBL8811994 0.89 PARP1 (0.46) TDP1ALDH1A1LMNASMN1; SMN2PARP1
SCHEMBL8685967 0.88 PARP1 (0.50) ALDH1A1LMNASMN1; SMN2PARP1HTR6
SCHEMBL8809171 0.88 PARP1 (0.48) ALDH1A1LMNAPARP1SLC2A1HTR6
SCHEMBL8812789 0.88 SMN1; SMN2 (0.62) TDP1ALDH1A1LMNASMN1; SMN2PARP1
SCHEMBL8813667 0.88 PARP1 (0.61) TDP1ALDH1A1LMNASMN1; SMN2PARP1
SCHEMBL8690587 0.88 PARP1 (0.61) TDP1ALDH1A1LMNASMN1; SMN2PARP1
SCHEMBL8811389 0.87 PARP1 (0.62) ALDH1A1LMNASMN1; SMN2PARP1PIM1
SCHEMBL8812716 0.86 PARP1 (0.43) TDP1ALDH1A1LMNASMN1; SMN2PARP1

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