SCHEMBL7722240

SCHEMBL7722240

CSc1ncc2sc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ELANE P08246 8/20 0.36
PLCG1 P19174 1/20 0.35
HTR2A P28223 1/20 0.34
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
FAP Q12884 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
SCHEMBL7636725 0.90 PLCG1 (0.36) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7730574 0.89 PLCG1 (0.35) L3MBTL1ELANEPLCG1HTR2A
SCHEMBL7730102 0.88 PLCG1 (0.35) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7728199 0.88 L3MBTL1 (0.39) L3MBTL1ELANEPLCG1HTR2ARAB9A
SCHEMBL7638675 0.86 PLCG1 (0.36) L3MBTL1ELANEPLCG1HTR2A
SCHEMBL7727841 0.85 ELANE (0.34) L3MBTL1ELANEPLCG1HTR2ARAB9A
SCHEMBL8194674 0.84 PLCG1 (0.37) L3MBTL1ELANEPLCG1HTR2ARAB9A
SCHEMBL7722528 0.84 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTR2ARAB9A
SCHEMBL7729704 0.84 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTR2ARAB9A
SCHEMBL7729400 0.84 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTR2ARAB9A

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