SCHEMBL9692345

SCHEMBL9692345

CCCCOc1ccc2c(c1)CCN=C2/C=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.56
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LSS P48449 1/20 0.39
PDE2A O00408 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CNR1 P21554 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37

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
SCHEMBL9692354 1.00 SLC2A1 (0.56) SLC2A1CA1CA2CA7CA9
SCHEMBL9692818 0.97 SLC2A1 (0.53) SLC2A1CA1CA2CA7CA9
SCHEMBL9692814 0.97 SLC2A1 (0.53) SLC2A1CA1CA2CA7CA9
SCHEMBL9692085 0.96 SLC2A1 (0.62) SLC2A1CA1CA2CA7CA9
SCHEMBL9692092 0.96 SLC2A1 (0.62) SLC2A1CA1CA2CA7CA9
SCHEMBL9692594 0.89 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692597 0.89 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692028 0.89 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692030 0.89 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692979 0.88 SLC2A1 (0.57) 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 4 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
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed