SCHEMBL7729532

SCHEMBL7729532

CCS(=O)(=O)c1ncn2cc(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 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.35
PLCG1 P19174 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7732306 0.94 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7731948 0.93 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7722496 0.92 ALDH1A1 (0.40) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7727955 0.91 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7727973 0.91 ALDH1A1 (0.36) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7729895 0.91 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7636272 0.90 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7728957 0.90 PLCG1 (0.37) ELANEPLCG1L3MBTL1HTR2AHTT
SCHEMBL7722355 0.89 ALDH1A1 (0.34) ELANEPLCG1HTR2AALDH1A1
SCHEMBL7722446 0.89 ELANE (0.36) ELANEPLCG1L3MBTL1HTR2AHTT

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