SCHEMBL7722352

SCHEMBL7722352

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(C(=O)c5ccccc5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
ELANE P08246 8/20 0.37
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTR2A P28223 1/20 0.32
RAB9A P51151 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
SCHEMBL4155818 0.93 MAPT (0.33) PLCG1ELANEHTTL3MBTL1HTR2A
SCHEMBL7041829 0.91 PLCG1 (0.35) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7728957 0.91 PLCG1 (0.37) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7722446 0.91 ELANE (0.36) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7730458 0.91 PLCG1 (0.35) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7730230 0.91 PLCG1 (0.35) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7728647 0.91 ELANE (0.36) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7003427 0.90 RAB9A (0.36) PLCG1ELANESMN1; SMN2L3MBTL1HTR2A
SCHEMBL7631759 0.90 PLCG1 (0.36) PLCG1ELANEHTTSMN1; SMN2L3MBTL1
SCHEMBL7722351 0.89 PLCG1 (0.34) PLCG1ELANEHTTSMN1; SMN2L3MBTL1

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