SCHEMBL7729308

SCHEMBL7729308

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.36
ELANE P08246 4/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL7730502 0.94 PLCG1 (0.36) PLCG1ELANEALDH1A1L3MBTL1HTT
SCHEMBL7728195 0.93 ALDH1A1 (0.40) PLCG1ELANEALDH1A1L3MBTL1HTT
SCHEMBL7728230 0.89 PLCG1 (0.35) PLCG1ELANEALDH1A1
SCHEMBL8195485 0.89 PLCG1 (0.37) PLCG1ELANEALDH1A1L3MBTL1HTR2A
SCHEMBL7722332 0.89 PLCG1 (0.37) PLCG1ELANEALDH1A1L3MBTL1HTT
SCHEMBL7730782 0.88 L3MBTL1 (0.41) PLCG1ELANEALDH1A1L3MBTL1HTT
SCHEMBL7722214 0.88 PLCG1 (0.37) PLCG1ELANEALDH1A1L3MBTL1HTT
SCHEMBL7728648 0.88 PLCG1 (0.37) PLCG1ELANEALDH1A1L3MBTL1HTT
SCHEMBL7722500 0.88 PLCG1 (0.37) PLCG1ELANEALDH1A1L3MBTL1HTR2A
SCHEMBL7722544 0.88 PLCG1 (0.36) PLCG1ELANEALDH1A1L3MBTL1HTR2A

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-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