SCHEMBL6895306

SCHEMBL6895306

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Cc3cn4cnc(S(C)(=O)=O)c4s3)C[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC29A1 Q99808 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 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
SCHEMBL6888255 0.85 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6887442 0.85 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6886809 0.80 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7734526 0.78 ESR1 (0.33) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6895255 0.77 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6890980 0.75 KDM4E (0.37) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6893546 0.74 CACNA1C (0.35) ESR1PTGS1
SCHEMBL6886821 0.74 CACNA1C (0.35) ESR1PTGS1
SCHEMBL6893817 0.74 CACNA1C (0.35) ESR1PTGS1
SCHEMBL6887231 0.74 CACNA1C (0.35) ESR1PTGS1

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