SCHEMBL7448174

SCHEMBL7448174

CCC(NS(=O)(=O)c1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C2CC2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.38
HSP90AB1 P08238 5/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.35
TP53 P04637 3/20 0.35
ITGA1 P56199 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AR P10275 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL7441063 0.90 KCNK3 (0.36) HPGDALDH1A1PDE4B
SCHEMBL7443321 0.90 HSP90AA1 (0.38) HSP90AA1HSP90AB1HPGDHSD17B10MEN1
SCHEMBL6175973 0.86 HSD11B1 (0.39) HSP90AA1HSP90AB1HPGDHSD17B10MEN1
SCHEMBL7450449 0.86 MEN1 (0.37) HSP90AA1HSP90AB1MEN1KMT2AL3MBTL1
Ethane SCHEMBL7485196 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1HPGDHSD17B10MEN1
SCHEMBL7437319 0.85 ALDH1A1 (0.36) MAPTALDH1A1LMNAHTTTP53
SCHEMBL7437644 0.84 EEF2K (0.41) HSD11B1
SCHEMBL7445975 0.84 POLB (0.38) KMT2AALDH1A1LMNAHTTTDP1
SCHEMBL7448164 0.82 ALDH1A1 (0.40) HSP90AA1HSP90AB1HPGDHSD17B10MEN1
SCHEMBL7448162 0.80 HSP90AA1 (0.39) HSP90AA1HSP90AB1HPGDHSD17B10MEN1

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-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed