SCHEMBL19917644

SCHEMBL19917644

CC(C)CCC[n+]1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
CHEK1 O14757 1/20 0.30
CHEK2 O96017 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL19917645 0.94 HTT (0.32) HTTCHEK1CHEK2BAZ2B
SCHEMBL19917627 0.85 TSHR (0.38) HTTCHEK1CHEK2BAZ2B
SCHEMBL19917539 0.85 HTT (0.36) HTTCHEK1CHEK2BAZ2B
SCHEMBL19917643 0.81 BAZ2B (0.35) HTTCHEK1CHEK2BAZ2B
SCHEMBL19917622 0.81 CHEK1 (0.34) HTTCHEK1CHEK2BAZ2B
SCHEMBL12395230 0.75 BAZ2B (0.42) HTTCHEK1CHEK2BAZ2B
SCHEMBL6370890 0.75 BAZ2B (0.42) HTTCHEK1CHEK2BAZ2B
SCHEMBL10313033 0.75 BAZ2B (0.42) HTTCHEK1CHEK2BAZ2B
SCHEMBL19899441 0.74 MAPT (0.41) HTTCHEK1CHEK2BAZ2B
SCHEMBL12185503 0.73 CHEK1 (0.42) HTTCHEK1CHEK2BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018037230-A1 PYRIDYL-ETHYLENEDIOXY-THIOPHENE DERIVATIVES AS TRANSPARENT CONDUCTIVE MATERIAL UNIVERSITY OF STRATHCLYDE (GB) 2018-03-01 WO disclosed