SCHEMBL7722648

SCHEMBL7722648

CON=Cc1ncn2c(C3=C(C(=O)OCOC(=O)C(C)(C)C)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)csc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.36
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6887219 0.86 KDM4E (0.39) KDM4ELMNA
SCHEMBL7732159 0.85 FAP (0.38) FAPUSP2ALDH1A1CYP3A4MAPT
SCHEMBL7729096 0.85 KDM4E (0.33) KDM4ELMNA
SCHEMBL7728805 0.82 PLCG1 (0.35) ALDH1A1MAPTHPGD
SCHEMBL7628021 0.74 KDM4E (0.40) PTGS1KDM4ELMNA
SCHEMBL7730768 0.73 FAP (0.38) FAPKDM4ELMNA
SCHEMBL14517164 0.72 FAP (0.40) FAPPTGS1KDM4ELMNA
SCHEMBL14517157 0.72 FAP (0.40) FAPPTGS1KDM4ELMNA
SCHEMBL14517169 0.71 FAP (0.39) FAPUSP2ALDH1A1CYP3A4MAPT
SCHEMBL14517172 0.71 FAP (0.39) FAPUSP2ALDH1A1CYP3A4MAPT

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