SCHEMBL7635234

SCHEMBL7635234

O=C1CNCCN1CC=S

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL17691084 0.82 GPR4 (0.34) GPR4KCNH2
SCHEMBL1754879 0.81 CYP3A4 (0.35) GPR4KCNH2
SCHEMBL979256 0.81 CYP3A4 (0.35) GPR4KCNH2
Hydrochloric Acid SCHEMBL2898888 0.79 CYP3A4 (0.34) GPR4KCNH2
SCHEMBL9283864 0.78 GPR4 (0.36) GPR4KCNH2
SCHEMBL5337457 0.77 JAK2 (0.34)
SCHEMBL8486724 0.74
SCHEMBL6285083 0.74
SCHEMBL25954913 0.74
SCHEMBL92375 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458935-B1 LABEL FPTASE IN ASSAYS, WHETHER CELL-BASED, TISSUE-BASED OR IN WHOLE ANIMAL. THE TRACERS CAN ALSO BE USED IN COMPETITIVE BINDING ASSAYS TO OBTAIN INFORMATION ON THE INTERACTION OF UNLABELED FTIS WITH FPTASE. MERCK & CO., INC. 2002-10-01 US disclosed
WO-2000078363-A1 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-12-28 WO disclosed
US-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 US disclosed
EP-0981728-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS Merck & Co., Inc. (US) 2000-03-01 EP disclosed
WO-1999000654-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 1999-01-07 WO disclosed