SCHEMBL6896064

SCHEMBL6896064

CC1C(c2cn3cnc(S(=O)(=O)N(C)C)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
ESR1 P03372 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
ABCC2 Q92887 1/20 0.31

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
SCHEMBL6887058 1.00 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AABCC2
SCHEMBL6894691 1.00 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AABCC2
SCHEMBL7730732 0.92 ABCC2 (0.34) ABCC2
SCHEMBL6887755 0.92 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4A
SCHEMBL6886821 0.90 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4A
SCHEMBL6893546 0.90 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4A
SCHEMBL6887231 0.90 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4A
SCHEMBL6893817 0.90 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4A
SCHEMBL6887117 0.90 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4A
SCHEMBL6887472 0.89 CACNA1C (0.38) CACNA1CESR1PTGS1PDE4A

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
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed