SCHEMBL28510653

SCHEMBL28510653

COC(=O)c1ccc(C(F)(F)F)cc1N(c1ccc(C#N)cc1)[SH](=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.39
RXFP1 Q9HBX9 2/20 0.38
RORC P51449 2/20 0.37
KIF11 P52732 1/20 0.37
POLB P06746 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MLYCD O95822 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL28516915 0.86 KIF11 (0.38) PTGDR2RXFP1RORCKIF11SCN8A
SCHEMBL29243244 0.85 CFTR (0.50) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29243257 0.83 CFTR (0.45) CFTRPTGDR2RXFP1RORCKIF11
SCHEMBL21176556 0.74 CFTR (0.57) CFTRKDM4EMAPTMRGPRX4
SCHEMBL11608812 0.73 CFTR (0.61) CFTRKDM4EMRGPRX4PTPN1PTPN6
SCHEMBL28906830 0.72 CFTR (0.55) CFTRKDM4EMAPTMRGPRX4
SCHEMBL23141209 0.71 KDM1A (0.53) CFTRKDM4E
SCHEMBL6809217 0.70 TAS2R14 (0.48) CFTRPTGDR2RXFP1SCN8ASCN10A
SCHEMBL7550401 0.70 CFTR (0.57) CFTRPOLBKDM4EMAPTMRGPRX4
SCHEMBL28906829 0.69 SLC6A4 (0.36) CFTRTUBB4ATUBBTUBA3CTUBA1B

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
CN-112204008-A Sulphonylaminobenzylamide and sulphonylaminobenzamide derivatives 吉利德科学公司 2021-01-08 CN disclosed