SCHEMBL7728186

SCHEMBL7728186

CC(=O)c1nc(C)n2cc(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 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ELANE P08246 3/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL7729156 0.93 PLCG1 (0.38) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7722624 0.90 L3MBTL1 (0.39) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7722252 0.90 PLCG1 (0.38) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7729305 0.89 PLCG1 (0.35) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7729351 0.89 PLCG1 (0.38) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7734511 0.87 PLCG1 (0.36) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7722332 0.86 PLCG1 (0.37) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7734427 0.85 L3MBTL1 (0.38) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7722709 0.84 PLCG1 (0.38) PLCG1ALDH1A1MAPTHPGDELANE
SCHEMBL7722523 0.84 L3MBTL1 (0.39) PLCG1ALDH1A1MAPTHPGDELANE

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