SCHEMBL7722252

SCHEMBL7722252

Cc1nc([S+](C)[O-])c2sc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)cn12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
ELANE P08246 5/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.32
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
TDP1 Q9NUW8 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
SCHEMBL7728186 0.90 PLCG1 (0.38) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7722624 0.89 L3MBTL1 (0.39) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7729156 0.88 PLCG1 (0.38) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7729351 0.88 PLCG1 (0.38) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7722513 0.88 PLCG1 (0.36) PLCG1ELANEPOLBSMN1; SMN2HTR2A
SCHEMBL7728913 0.88 PLCG1 (0.36) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7729305 0.84 PLCG1 (0.35) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7722523 0.83 L3MBTL1 (0.39) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7734427 0.82 L3MBTL1 (0.38) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7729819 0.81 L3MBTL1 (0.37) PLCG1ELANEALDH1A1MAPTHPGD

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