SCHEMBL6887593

SCHEMBL6887593

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(CNC(=O)OCc5ccc([N+](=O)[O-])cc5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ELANE P08246 3/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
HTR2A P28223 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 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
SCHEMBL7732212 0.95 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL6893286 0.95 PLCG1 (0.33) PLCG1ELANEDPP8DPP9HTR2A
SCHEMBL8201106 0.92 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7636272 0.91 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7722557 0.91 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7722374 0.90 PLCG1 (0.35) PLCG1ELANEDPP8DPP9HTR2A
SCHEMBL7958911 0.89 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7728957 0.89 PLCG1 (0.37) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7734400 0.88 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7631759 0.87 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1HTT

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 2 patents. 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
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed