SCHEMBL19917643

SCHEMBL19917643

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.35
CHEK1 O14757 3/20 0.34
CHEK2 O96017 3/20 0.34
HTT P42858 3/20 0.33
HPGD P15428 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
EIF4H Q15056 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL19917539 0.85 HTT (0.36) BAZ2BCHEK1CHEK2HTT
SCHEMBL19917627 0.83 TSHR (0.38) BAZ2BCHEK1CHEK2HTT
SCHEMBL19917645 0.82 HTT (0.32) BAZ2BCHEK1CHEK2HTT
SCHEMBL6370890 0.82 BAZ2B (0.42) BAZ2BCHEK1CHEK2HTTHPGD
SCHEMBL12395230 0.82 BAZ2B (0.42) BAZ2BCHEK1CHEK2HTTHPGD
SCHEMBL10313033 0.82 BAZ2B (0.42) BAZ2BCHEK1CHEK2HTTHPGD
SCHEMBL19917644 0.81 HTT (0.31) BAZ2BCHEK1CHEK2HTT
SCHEMBL19899441 0.81 MAPT (0.41) BAZ2BCHEK1CHEK2HTT
SCHEMBL19917622 0.80 CHEK1 (0.34) BAZ2BCHEK1CHEK2HTT
SCHEMBL12185503 0.80 CHEK1 (0.42) BAZ2BCHEK1CHEK2HTT

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