SCHEMBL7730136

SCHEMBL7730136

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3sc4cncn4c3-c3ccccc3)C[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.40
ELANE P08246 10/20 0.38
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
IDO1 P14902 3/20 0.33
TDO2 P48775 3/20 0.33

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
SCHEMBL7729932 0.88 PLCG1 (0.37) PLCG1ELANETDP1
SCHEMBL7722253 0.88 PLCG1 (0.36) PLCG1ELANETDP1
SCHEMBL7722452 0.84 PLCG1 (0.34) PLCG1ELANE
SCHEMBL6894060 0.82 IDO1 (0.40) IDO1TDO2
SCHEMBL7722543 0.82 IDO1 (0.38) IDO1TDO2
SCHEMBL7722709 0.78 PLCG1 (0.38) PLCG1ELANE
SCHEMBL8195457 0.77 PLCG1 (0.38) PLCG1ELANEIDO1TDO2
SCHEMBL7729339 0.77 PLCG1 (0.40) PLCG1ELANETDP1ATM
SCHEMBL7729933 0.76 L3MBTL1 (0.40) PLCG1ELANE
SCHEMBL7731847 0.76 L3MBTL1 (0.41) PLCG1ELANE

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