SCHEMBL7444883

SCHEMBL7444883

O=c1oc(C(Cc2ccc(F)cc2)CC2CC2)cc(O)c1C(c1cccs1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
ICMT O60725 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7450365 0.93 NQO1 (0.34) NQO1ICMT
SCHEMBL7439540 0.92 NQO1 (0.34) NQO1ICMT
SCHEMBL7443496 0.91 NQO1 (0.32) NQO1KMT2A
SCHEMBL7450255 0.91 NQO1 (0.33) NQO1TP53ICMT
SCHEMBL7445237 0.91 NQO1 (0.33) NQO1MEN1KMT2AICMTLMNA
SCHEMBL7433776 0.90 NQO1 (0.34) NQO1MEN1KMT2ATSHRTP53
SCHEMBL7446185 0.89 L3MBTL1 (0.36) NQO1TSHRTP53LMNA
SCHEMBL7562897 0.88 NQO1 (0.34) NQO1MEN1KMT2ATSHRTP53
SCHEMBL7440406 0.87 NQO1 (0.33) NQO1MEN1KMT2ATSHRTP53
SCHEMBL9280111 0.86 TDP1 (0.35) NQO1TSHRLMNA

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