SCHEMBL7730508

SCHEMBL7730508

CC(=O)/C=C/c1ncn2cc(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 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.34
PLCG1 P19174 1/20 0.34
HTR2A P28223 1/20 0.33
CTSL P07711 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 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
SCHEMBL7729312 0.94 PLCG1 (0.34) ELANEPLCG1HTR2ACTSLPOLB
SCHEMBL6892772 0.94 PLCG1 (0.34) ELANEPLCG1HTR2ACTSLPOLB
SCHEMBL7728555 0.90 HDAC3 (0.34) ELANEPLCG1HTR2AL3MBTL1
SCHEMBL7041829 0.89 PLCG1 (0.35) ELANEPLCG1HTR2APOLBSMN1; SMN2
SCHEMBL7734400 0.88 PLCG1 (0.36) ELANEPLCG1HTR2APOLBSMN1; SMN2
SCHEMBL7958911 0.88 PLCG1 (0.36) ELANEPLCG1HTR2APOLBSMN1; SMN2
SCHEMBL7636272 0.88 PLCG1 (0.35) ELANEPLCG1HTR2APOLBSMN1; SMN2
SCHEMBL7728957 0.88 PLCG1 (0.37) ELANEPLCG1HTR2APOLBSMN1; SMN2
SCHEMBL7731948 0.87 PLCG1 (0.34) ELANEPLCG1HTR2APOLBSMN1; SMN2
SCHEMBL7728647 0.87 ELANE (0.36) ELANEPLCG1HTR2APOLBSMN1; SMN2

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