SCHEMBL7728033

SCHEMBL7728033

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(Sc5ccccc5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.38
PLCG1 P19174 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
HTR2A P28223 1/20 0.32
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7722386 0.91 L3MBTL1 (0.40) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7722347 0.91 ELANE (0.35) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7722340 0.90 ELANE (0.41) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7731889 0.89 ELANE (0.37) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7729957 0.88 PLCG1 (0.39) ELANEPLCG1L3MBTL1RAB9ACCR5
SCHEMBL7722352 0.88 PLCG1 (0.38) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7958911 0.87 PLCG1 (0.36) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7734400 0.87 PLCG1 (0.36) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7631759 0.87 PLCG1 (0.36) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7636272 0.87 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2AALDH1A1

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