SCHEMBL9690751

SCHEMBL9690751

CC(C)(C)CCOc1ccc2c(c1)CCN=C2C=Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
PPARA Q07869 2/20 0.42
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
LSS P48449 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
PTGS2 P35354 1/20 0.34
AHR P35869 2/20 0.33
MIF P14174 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9692195 1.00 SLC2A1 (0.51) SLC2A1PPARACA1CA2CA7
SCHEMBL9692407 0.88 SLC2A1 (0.59) SLC2A1PPARACA1CA2CA7
SCHEMBL9692583 0.88 SLC2A1 (0.65) SLC2A1PPARACA1CA2CA7
SCHEMBL9692415 0.88 SLC2A1 (0.59) SLC2A1PPARACA1CA2CA7
SCHEMBL9690752 0.88 SLC2A1 (0.65) SLC2A1PPARACA1CA2CA7
SCHEMBL9692597 0.87 SLC2A1 (0.48) SLC2A1PPARACA1CA2CA7
SCHEMBL9692594 0.87 SLC2A1 (0.48) SLC2A1PPARACA1CA2CA7
SCHEMBL9692826 0.85 SLC2A1 (0.56) SLC2A1PPARACA1CA2CA7
SCHEMBL9690621 0.85 SLC2A1 (0.56) SLC2A1PPARACA1CA2CA7
SCHEMBL9692537 0.85 SLC2A1 (0.51) SLC2A1PPARACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 EP claimed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP claimed
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed