SCHEMBL7437314

SCHEMBL7437314

CCN(Cc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(N(C)C)cc3)c2)C2CC2)c(=O)o1)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES O14684 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
TGFBR1 P36897 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
PGAM1 P18669 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL7441056 0.95 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7450446 0.92 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7437641 0.90 LMNA (0.38) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7432830 0.89 PTGER2 (0.37) ALDH1A1MEN1KMT2ALMNAHTT
Ethane SCHEMBL7482421 0.88 TGFBR1 (0.39) ALDH1A1LMNAMAPTPTGESROCK2
SCHEMBL7448164 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7445404 0.85 PARP1 (0.37) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7445970 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7445652 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7444165 0.84 PDE4B (0.40) ALDH1A1MEN1KMT2ALMNAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
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 claimed
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