SCHEMBL7722604

SCHEMBL7722604

CC(=O)c1ncn2c(C)c(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.36
ELANE P08246 5/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 2/20 0.32
MAOB P27338 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL7722709 0.86 PLCG1 (0.38) PLCG1ELANEPOLBSMN1; SMN2L3MBTL1
SCHEMBL7041829 0.85 PLCG1 (0.35) PLCG1ELANEPOLBSMN1; SMN2L3MBTL1
SCHEMBL7734511 0.83 PLCG1 (0.36) PLCG1ELANEPOLBSMN1; SMN2L3MBTL1
SCHEMBL7728622 0.83 L3MBTL1 (0.40) PLCG1ELANEPOLBSMN1; SMN2L3MBTL1
SCHEMBL7728175 0.81 FAP (0.46)
SCHEMBL6890031 0.81 ESR1 (0.33)
SCHEMBL6892798 0.81 ESR1 (0.33)
SCHEMBL7636403 0.81 PLCG1 (0.38) PLCG1ELANEPOLBSMN1; SMN2L3MBTL1
SCHEMBL7734765 0.80 ABCC2 (0.33)
SCHEMBL7728957 0.80 PLCG1 (0.37) PLCG1ELANEPOLBSMN1; 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