SCHEMBL7731948

SCHEMBL7731948

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.34
ELANE P08246 5/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 2/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7732306 0.94 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7729532 0.93 ELANE (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7722496 0.92 ALDH1A1 (0.40) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7729895 0.91 PLCG1 (0.34) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7727973 0.91 ALDH1A1 (0.36) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7727955 0.91 PLCG1 (0.34) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7636272 0.90 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7728957 0.90 PLCG1 (0.37) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7722355 0.89 ALDH1A1 (0.34) PLCG1ELANEHTR2AALDH1A1
SCHEMBL7734400 0.89 PLCG1 (0.36) PLCG1ELANEHTR2AALDH1A1L3MBTL1

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