SCHEMBL7722709

SCHEMBL7722709

CC(=O)c1ncn2c(C)c(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
ELANE P08246 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 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
SCHEMBL7731847 0.90 L3MBTL1 (0.41) PLCG1NPC1KMT2AELANEL3MBTL1
SCHEMBL7732679 0.87 PLCG1 (0.37) PLCG1NPC1KMT2AELANEL3MBTL1
SCHEMBL7722604 0.86 PLCG1 (0.36) PLCG1ELANEL3MBTL1POLBSMN1; SMN2
SCHEMBL7722332 0.86 PLCG1 (0.37) PLCG1NPC1KMT2AELANEL3MBTL1
SCHEMBL7728186 0.84 PLCG1 (0.38) PLCG1NPC1KMT2AELANEALDH1A1
SCHEMBL7729933 0.83 L3MBTL1 (0.40) PLCG1NPC1KMT2AELANEL3MBTL1
SCHEMBL7728923 0.82 L3MBTL1 (0.39) PLCG1NPC1KMT2AELANEL3MBTL1
SCHEMBL7730768 0.81 FAP (0.38)
SCHEMBL8195858 0.81 PLCG1 (0.36) PLCG1NPC1KMT2AELANEL3MBTL1
SCHEMBL7731695 0.81 PLCG1 (0.36) PLCG1NPC1KMT2AELANEL3MBTL1

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