SCHEMBL9692227

SCHEMBL9692227

CC(C)(C)CCOc1ccc2c(c1)CCN=C2/C=C/c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
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
LSS P48449 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NFE2L2 Q16236 5/20 0.35
RELA Q04206 1/20 0.35
MAOB P27338 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAOA P21397 1/20 0.32
MAPK10 P53779 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL9692231 1.00 SLC2A1 (0.49) SLC2A1CA1CA2CA7CA9
SCHEMBL9692594 0.89 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692597 0.89 SLC2A1 (0.48) SLC2A1CA1CA2CA7CA9
SCHEMBL9692977 0.89 SLC2A1 (0.57) SLC2A1CA1CA2CA7CA9
SCHEMBL9692484 0.89 SLC2A1 (0.63) SLC2A1CA1CA2CA7CA9
SCHEMBL9692489 0.89 SLC2A1 (0.63) SLC2A1CA1CA2CA7CA9
SCHEMBL9692979 0.89 SLC2A1 (0.57) SLC2A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9692265 0.88 SLC2A1 (0.62) SLC2A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9692262 0.88 SLC2A1 (0.62) SLC2A1CA1CA2CA7CA9
SCHEMBL9692894 0.86 SLC2A1 (0.54) 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