SCHEMBL7732679

SCHEMBL7732679

CC(=O)c1ncn2c(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)csc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.37
ELANE P08246 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7041305 0.94 PLCG1 (0.36) PLCG1ELANEL3MBTL1HTTALDH1A1
SCHEMBL7731695 0.94 PLCG1 (0.36) PLCG1ELANEL3MBTL1ALDH1A1MAPT
SCHEMBL8195858 0.94 PLCG1 (0.36) PLCG1ELANEL3MBTL1ALDH1A1MAPT
SCHEMBL7636917 0.91 PLCG1 (0.39) PLCG1ELANEL3MBTL1HTTALDH1A1
SCHEMBL7734230 0.90 L3MBTL1 (0.41) PLCG1ELANEL3MBTL1HTTALDH1A1
SCHEMBL7722339 0.89 PLCG1 (0.34) PLCG1ELANENPC1KMT2A
SCHEMBL7729575 0.89 PLCG1 (0.36) PLCG1ELANEL3MBTL1ALDH1A1MAPT
SCHEMBL8187440 0.89 PLCG1 (0.36) PLCG1ELANEL3MBTL1HTTALDH1A1
SCHEMBL7722709 0.87 PLCG1 (0.38) PLCG1ELANEL3MBTL1HTTALDH1A1
SCHEMBL7728805 0.87 PLCG1 (0.35) PLCG1ELANEL3MBTL1HTTALDH1A1

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