SCHEMBL7729932

SCHEMBL7729932

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3sc4cncn4c3CO)C[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.37
ELANE P08246 5/20 0.34
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
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 2/20 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
SCHEMBL7722452 0.90 PLCG1 (0.34) PLCG1ELANENPC1KMT2APOLB
SCHEMBL7722253 0.90 PLCG1 (0.36) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7730136 0.88 PLCG1 (0.40) PLCG1ELANETDP1
SCHEMBL8195453 0.86 PLCG1 (0.35) PLCG1ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL7728923 0.85 L3MBTL1 (0.39) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7730125 0.81 KDM4E (0.34)
SCHEMBL6893929 0.81 KDM4E (0.40) KMT2A
SCHEMBL7722709 0.80 PLCG1 (0.38) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7729933 0.78 L3MBTL1 (0.40) PLCG1ELANEALDH1A1MAPTHPGD
SCHEMBL7731847 0.78 L3MBTL1 (0.41) PLCG1ELANEALDH1A1MAPTHPGD

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