SCHEMBL9260928

SCHEMBL9260928

Cc1[nH]c(C)c(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(=O)c1Br

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.51
PTGS2 P35354 2/20 0.38
SLC11A2 P49281 1/20 0.37
CHEK2 O96017 1/20 0.36
MMP14 P50281 1/20 0.36
KIF11 P52732 2/20 0.35
DAO P14920 1/20 0.35
SLC6A4 P31645 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 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
SCHEMBL9263676 0.92 SLC2A1 (0.53) SLC2A1PTGS2SLC11A2KIF11DAO
SCHEMBL9268107 0.88 SLC2A1 (0.57) SLC2A1CHEK2MMP14KIF11MMP2
SCHEMBL9266242 0.87 SLC2A1 (0.51) SLC2A1PTGS2KIF11MMP2MMP9
SCHEMBL9268714 0.85 SLC2A1 (0.55) SLC2A1PTGS2
SCHEMBL9268964 0.84 SLC2A1 (0.58) SLC2A1PTGS2SLC11A2CHEK2MMP14
SCHEMBL9272554 0.83 SLC2A1 (0.56) SLC2A1MMP2MMP9
SCHEMBL9261054 0.82 SLC2A1 (0.74) SLC2A1PTGS2
SCHEMBL9261485 0.81 SLC2A1 (0.46) SLC2A1PTGS2
SCHEMBL9263700 0.79 BRD4 (0.49) SLC2A1PTGS2SLC11A2
SCHEMBL4472787 0.79 SLC2A1 (0.58) SLC2A1SLC11A2KIF11

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
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO claimed
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed