SCHEMBL9692015

SCHEMBL9692015

CCCOc1ccc2c(c1)CCN=C2/C=C/c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.67
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL9692019 1.00 SLC2A1 (0.67) SLC2A1CA1CA2CA7CA9
SCHEMBL9690487 0.95 SLC2A1 (0.60) SLC2A1CA1CA2CA7CA9
SCHEMBL9690484 0.95 SLC2A1 (0.60) SLC2A1CA1CA2CA7CA9
SCHEMBL9692583 0.90 SLC2A1 (0.65) SLC2A1CA1CA2CA7CA9
SCHEMBL9690752 0.90 SLC2A1 (0.65) SLC2A1CA1CA2CA7CA9
SCHEMBL9692220 0.89 SLC2A1 (0.68) SLC2A1CA1CA2CA7CA9
SCHEMBL9692216 0.89 SLC2A1 (0.68) SLC2A1CA1CA2CA7CA9
SCHEMBL9693050 0.88 SLC2A1 (0.63) SLC2A1CA1CA2CA7CA9
SCHEMBL9693046 0.88 SLC2A1 (0.63) SLC2A1CA1CA2CA7CA9
SCHEMBL9692810 0.87 SLC2A1 (0.62) 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
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed