SCHEMBL7729933

SCHEMBL7729933

CSc1ncn2c(SC)c(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
PLCG1 P19174 1/20 0.36
ELANE P08246 7/20 0.35
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.31
KMT2A Q03164 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
SCHEMBL7731847 0.93 L3MBTL1 (0.41) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7728923 0.92 L3MBTL1 (0.39) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7731938 0.88 L3MBTL1 (0.36) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7734230 0.88 L3MBTL1 (0.41) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7722253 0.87 PLCG1 (0.36) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7728622 0.86 L3MBTL1 (0.40) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7730782 0.86 L3MBTL1 (0.41) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7722709 0.83 PLCG1 (0.38) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7722523 0.83 L3MBTL1 (0.39) L3MBTL1PLCG1ELANERAB9APAX8
SCHEMBL7722624 0.83 L3MBTL1 (0.39) L3MBTL1PLCG1ELANERAB9APAX8

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