SCHEMBL9692597

SCHEMBL9692597

CC(C)(C)CCOc1ccc2c(c1)CCN=C2C=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.48
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LSS P48449 1/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BDKRB1 P46663 1/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 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
SCHEMBL9692594 1.00 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692231 0.89 SLC2A1 (0.49) SLC2A1CA1CA2CA7CA9
SCHEMBL9692227 0.89 SLC2A1 (0.49) SLC2A1CA1CA2CA7CA9
SCHEMBL9692085 0.89 SLC2A1 (0.62) SLC2A1CA1CA2CA7CA9
SCHEMBL9692092 0.89 SLC2A1 (0.62) SLC2A1CA1CA2CA7CA9
SCHEMBL9692345 0.89 SLC2A1 (0.56) SLC2A1CA1CA2CA7CA9
SCHEMBL9692354 0.89 SLC2A1 (0.56) SLC2A1CA1CA2CA7CA9
SCHEMBL9690751 0.87 SLC2A1 (0.51) SLC2A1CA1CA2CA7CA9
SCHEMBL9692195 0.87 SLC2A1 (0.51) SLC2A1CA1CA2CA7CA9
SCHEMBL9692028 0.86 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9

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