SCHEMBL7728555

SCHEMBL7728555

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(C=NOCc5ccc([N+](=O)[O-])cc5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PLCG1 P19174 1/20 0.33
ELANE P08246 3/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KMT2A Q03164 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
SCHEMBL6895701 0.94 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7730508 0.90 ELANE (0.34) PLCG1ELANEHTR2AL3MBTL1
SCHEMBL7729312 0.88 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1
SCHEMBL6892772 0.88 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1
SCHEMBL7734400 0.87 PLCG1 (0.36) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7958911 0.87 PLCG1 (0.36) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7636272 0.87 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7728957 0.87 PLCG1 (0.37) PLCG1ELANEHTR2AMAPTL3MBTL1
SCHEMBL7041829 0.87 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1
SCHEMBL7731948 0.86 PLCG1 (0.34) PLCG1ELANEHTR2AALDH1A1L3MBTL1

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