SCHEMBL9375759

SCHEMBL9375759

COC(=O)c1csc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CHEK1 O14757 1/20 0.42
MET P08581 1/20 0.42
GSK3B P49841 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL7211424 0.82 MAPT (0.47) MAPTCHEK1METGSK3BLIMK1
SCHEMBL1617947 0.78 MAPT (0.45) MAPTCHEK1METGSK3BLIMK1
SCHEMBL8243303 0.78 MAPT (0.45) MAPTCHEK1METGSK3BLIMK1
SCHEMBL8493851 0.77 CHEK1 (0.41) MAPTCHEK1METGSK3BLIMK1
SCHEMBL6994913 0.77 CA12 (0.42) MAPTCHEK1METGSK3BLIMK1
Hydrochloric Acid SCHEMBL1617128 0.77 MAPT (0.44) MAPTCHEK1METGSK3BLIMK1
SCHEMBL30461811 0.77 MAPT (0.44) MAPTCHEK1METGSK3BLIMK1
SCHEMBL12733115 0.76 MAPT (0.42) MAPTCHEK1METGSK3BLIMK1
SCHEMBL12806874 0.76 HPGD (0.54) MAPTLMNAGAAKDM4ETDP1
SCHEMBL7355060 0.74 MAPT (0.49) MAPTCHEK1METGSK3BLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371594-B1 Thiophene-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1994-02-16 EP disclosed
US-5015656-A Antidepressants, anxiolytic compounds, central nervous system active compounds for psychotic conditions, aminoalkylcarboxami de derivatives of thiophene LILLY S.A. (ES) 1991-05-14 US disclosed
EP-0371594-A1 Thiophene-carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1990-06-06 EP disclosed