SCHEMBL9538453

SCHEMBL9538453

O=Cc1ccc(OC(Cn2c(=O)oc3ccccc32)n2c(=O)oc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42
IDO1 P14902 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
MIF P14174 1/20 0.41
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6477010 0.75 TSHR (0.66) MEN1KMT2AHPGDTSHRMAPK1
SCHEMBL4740278 0.68 MAPK1 (0.58) HPGDTSHRMAPK1USP2ALDH1A1
SCHEMBL30195348 0.67 MAPK1 (0.66) HPGDTSHRMAPK1USP2ALDH1A1
SCHEMBL20783160 0.67 MAPK1 (0.66) MEN1KMT2AHPGDTSHRMAPK1
SCHEMBL14198763 0.67 MAPK1 (0.70) HPGDTSHRMAPK1USP2ALDH1A1
SCHEMBL5162639 0.63 ALDH1A1 (0.68) HPGDTSHRMAPK1USP2ALDH1A1
SCHEMBL2600306 0.62 MAPK1 (0.52) MEN1KMT2AHPGDTSHRMAPK1
SCHEMBL29591678 0.62 MAPK1 (0.52) MEN1KMT2AHPGDTSHRMAPK1
SCHEMBL10915913 0.62 MAPK1 (0.72) MEN1KMT2AHPGDTSHRMAPK1
SCHEMBL3049673 0.62 MAPK1 (0.72) HPGDTSHRMAPK1USP2ALDH1A1

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-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed