SCHEMBL7722268

SCHEMBL7722268

Cc1nc(C(=O)CO)c2sc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.36
ELANE P08246 4/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
FAP Q12884 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7734511 0.93 PLCG1 (0.36) PLCG1ELANELMNAHTR2APOLB
SCHEMBL7729063 0.90 PLCG1 (0.38) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7729413 0.90 PLCG1 (0.33) PLCG1ELANELMNAHTR2APOLB
SCHEMBL7722449 0.89 PLCG1 (0.38) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7722528 0.88 L3MBTL1 (0.38) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7730698 0.88 PLCG1 (0.36) PLCG1ELANELMNAHTR2APOLB
SCHEMBL7722513 0.88 PLCG1 (0.36) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7730458 0.88 PLCG1 (0.35) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7729156 0.87 PLCG1 (0.38) PLCG1ELANELMNAHTR2APOLB
SCHEMBL7728620 0.86 PLCG1 (0.36) PLCG1ELANEHTR2APOLBSMN1; 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