SCHEMBL7729339

SCHEMBL7729339

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(C(=O)c5ccccc5)c4s3)C[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.40
ELANE P08246 8/20 0.37
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7722332 0.91 PLCG1 (0.37) PLCG1ELANEHTTL3MBTL1
SCHEMBL7728648 0.90 PLCG1 (0.37) PLCG1ELANETDP1HTTL3MBTL1
SCHEMBL7722214 0.90 PLCG1 (0.37) PLCG1ELANETDP1HTTL3MBTL1
SCHEMBL7722500 0.90 PLCG1 (0.37) PLCG1ELANEL3MBTL1
SCHEMBL8196175 0.90 PLCG1 (0.38) PLCG1ELANETDP1HTTL3MBTL1
SCHEMBL7730048 0.87 PLCG1 (0.36) PLCG1ELANEHTTL3MBTL1
SCHEMBL7729957 0.87 PLCG1 (0.39) PLCG1ELANETDP1ATML3MBTL1
SCHEMBL7722352 0.87 PLCG1 (0.38) PLCG1ELANEHTTL3MBTL1
SCHEMBL8195485 0.87 PLCG1 (0.37) PLCG1ELANEL3MBTL1
SCHEMBL7730782 0.86 L3MBTL1 (0.41) PLCG1ELANEHTTL3MBTL1

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