SCHEMBL6894967

SCHEMBL6894967

Cc1nc(Br)n2cc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
ESR1 P03372 1/20 0.33
PDE4A P27815 1/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FAP Q12884 1/20 0.30

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
SCHEMBL7634446 0.90 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL6895309 0.88 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1CFAP
SCHEMBL6892382 0.82 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1C
SCHEMBL6891413 0.82 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1C
SCHEMBL6891569 0.81 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CFAP
SCHEMBL6773445 0.81 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CFAP
SCHEMBL7633400 0.80 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL6887322 0.80 CACNA1C (0.35) PTGS1ESR1PDE4ACACNA1C
SCHEMBL6894605 0.80 CACNA1C (0.35) PTGS1ESR1PDE4ACACNA1C
SCHEMBL7722510 0.80 ABCC2 (0.33)

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