SCHEMBL11041743

SCHEMBL11041743

CCCCCCCC1(CCCn2ccnc2)SCCC(CCCC)S1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.49
QPCT Q16769 3/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
PRKCI P41743 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
CYP4F2 P78329 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
ADAM17 P78536 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
SCHEMBL10780812 1.00 TBXAS1 (0.49) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10785681 1.00 TBXAS1 (0.49) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10780036 1.00 TBXAS1 (0.49) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10779997 0.96 TBXAS1 (0.46) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10786079 0.96 TBXAS1 (0.46) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10779832 0.96 TBXAS1 (0.46) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10780000 0.96 TBXAS1 (0.46) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10785571 0.96 TBXAS1 (0.45) TBXAS1QPCTSMN1; SMN2MAPK1PRKCI
SCHEMBL10781257 0.92 TBXAS1 (0.50) TBXAS1QPCTHTTSMN1; SMN2MAPK1
SCHEMBL10782668 0.92 TBXAS1 (0.50) TBXAS1QPCTHTTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4489087-A Spermicidal thioketal substituted N-alkyl imidazoles SYNTEX (U.S.A.) INC. (US) 1984-12-18 US disclosed
EP-0111384-A1 Thioketal substituted N-alkyl imidazoles and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1984-06-20 EP disclosed