SCHEMBL7730163

SCHEMBL7730163

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4c([S+](C)[O-])nc([S+](C)[O-])c4s3)[C@H](C)[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.34
ELANE P08246 4/20 0.33
HTR2A P28223 1/20 0.33
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
HTT P42858 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
SCHEMBL7722513 0.93 PLCG1 (0.36) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7727841 0.92 ELANE (0.34) PLCG1ELANEHTR2AL3MBTL1
SCHEMBL7107365 0.91 PLCG1 (0.33) PLCG1ELANEHTR2A
SCHEMBL7730102 0.87 PLCG1 (0.35) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7730194 0.87 PLCG1 (0.35) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7734511 0.84 PLCG1 (0.36) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7729063 0.84 PLCG1 (0.38) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7728199 0.84 L3MBTL1 (0.39) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7722449 0.84 PLCG1 (0.38) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7043233 0.83 PLCG1 (0.35) PLCG1ELANEHTR2APOLBSMN1; SMN2

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