SCHEMBL17302124

SCHEMBL17302124

N=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.81
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
DUSP3 P51452 2/20 0.60
POLB P06746 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
MCL1 Q07820 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
S1PR1 P21453 3/20 0.58
S1PR3 Q99500 3/20 0.58
DUSP22 Q9NRW4 5/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
Benzene SCHEMBL20582561 0.90 THRB (0.76) THRBMEN1KMT2ADUSP3POLB
SCHEMBL11332371 0.87 THRB (0.72) THRBMEN1KMT2ADUSP3POLB
SCHEMBL9911664 0.87 MEN1 (0.62) THRBMEN1KMT2ADUSP3POLB
SCHEMBL10035996 0.81 DUSP22 (0.77) THRBMEN1KMT2ADUSP3POLB
SCHEMBL12123516 0.81 DUSP22 (0.77) THRBMEN1KMT2ADUSP3POLB
SCHEMBL9917038 0.81 DUSP22 (0.77) THRBMEN1KMT2ADUSP3POLB
SCHEMBL12013725 0.79 MEN1 (0.68) THRBMEN1KMT2ADUSP3POLB
SCHEMBL17295556 0.77 S1PR3 (0.73) THRBMEN1KMT2AS1PR1S1PR3
SCHEMBL17295555 0.77 S1PR3 (0.73) THRBMEN1KMT2AS1PR1S1PR3
SCHEMBL13381732 0.77 HPGD (0.56) THRBMEN1KMT2ADUSP3POLB

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
WO-2015181337-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2015-12-03 WO disclosed