SCHEMBL7722342

SCHEMBL7722342

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3csc4c(S(C)(=O)=O)ncn34)[C@H](C)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ELANE P08246 5/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.30
HTR2A P28223 1/20 0.30
FAP Q12884 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
SCHEMBL7636403 0.90 PLCG1 (0.38) PLCG1ELANEALDH1A1L3MBTL1POLB
SCHEMBL7729552 0.89 L3MBTL1 (0.41) PLCG1ELANEL3MBTL1POLBSMN1; SMN2
SCHEMBL7729575 0.86 PLCG1 (0.36) PLCG1ELANEALDH1A1L3MBTL1
SCHEMBL7732306 0.85 PLCG1 (0.35) PLCG1ELANEALDH1A1L3MBTL1POLB
SCHEMBL6886179 0.81 CACNA1C (0.35)
SCHEMBL7043233 0.81 PLCG1 (0.35) PLCG1ELANEALDH1A1L3MBTL1POLB
SCHEMBL7734759 0.81 ABCC2 (0.32)
SCHEMBL7730698 0.80 PLCG1 (0.36) PLCG1ELANEALDH1A1L3MBTL1POLB
SCHEMBL7722383 0.79 PLCG1 (0.34) PLCG1ELANEALDH1A1HTTHTR2A
SCHEMBL7729532 0.79 ELANE (0.35) PLCG1ELANEALDH1A1L3MBTL1POLB

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