SCHEMBL7729704

SCHEMBL7729704

CSc1nc(Br)n2cc(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 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ELANE P08246 7/20 0.35
PLCG1 P19174 1/20 0.34
HTR2A P28223 1/20 0.33
FAP Q12884 1/20 0.32
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
HTT P42858 1/20 0.30
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
SCHEMBL7728199 0.93 L3MBTL1 (0.39) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7722528 0.93 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7729400 0.92 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7722443 0.91 L3MBTL1 (0.37) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7722498 0.90 L3MBTL1 (0.36) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7722386 0.86 L3MBTL1 (0.40) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7727841 0.85 ELANE (0.34) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7722240 0.84 L3MBTL1 (0.37) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7734511 0.84 PLCG1 (0.36) L3MBTL1ELANEPLCG1HTR2AFAP
SCHEMBL7722449 0.84 PLCG1 (0.38) L3MBTL1ELANEPLCG1HTR2AFAP

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