SCHEMBL7722544

SCHEMBL7722544

CC(C)Sc1ncn2cc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.36
ELANE P08246 7/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTR2A P28223 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 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
SCHEMBL7730782 0.94 L3MBTL1 (0.41) PLCG1ELANEL3MBTL1HTR2ARAB9A
SCHEMBL7722341 0.92 ELANE (0.41) PLCG1ELANEL3MBTL1HTR2ARAB9A
SCHEMBL7722492 0.91 ELANE (0.37) PLCG1ELANEL3MBTL1HTR2ARAB9A
SCHEMBL7729957 0.91 PLCG1 (0.39) PLCG1ELANEL3MBTL1RAB9APAX8
SCHEMBL7722332 0.89 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2AALDH1A1
SCHEMBL8195485 0.89 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2ARAB9A
SCHEMBL7722500 0.88 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2AALDH1A1
SCHEMBL7722214 0.88 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2AALDH1A1
SCHEMBL7728648 0.88 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2AALDH1A1
SCHEMBL7728913 0.88 PLCG1 (0.36) PLCG1ELANEL3MBTL1HTR2AALDH1A1

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