SCHEMBL7728622

SCHEMBL7728622

CSc1ncn2c(SC)c(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 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ELANE P08246 7/20 0.35
PLCG1 P19174 1/20 0.35
HTT P42858 3/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
FAP Q12884 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7729552 0.88 L3MBTL1 (0.41) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7729823 0.87 ELANE (0.36) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7729933 0.86 L3MBTL1 (0.40) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7722386 0.85 L3MBTL1 (0.40) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7722604 0.83 PLCG1 (0.36) L3MBTL1ELANEPLCG1HTTPOLB
SCHEMBL7728199 0.83 L3MBTL1 (0.39) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7722528 0.82 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7729704 0.82 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL7729400 0.82 L3MBTL1 (0.38) L3MBTL1ELANEPLCG1HTTRAB9A
SCHEMBL6892390 0.81 CACNA1C (0.34)

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 2 patents. 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
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed