SCHEMBL7629152

SCHEMBL7629152

CNC(=O)c1ncn2cc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC29A1 Q99808 1/20 0.37
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 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
SCHEMBL6894514 0.90 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6892354 0.89 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6886086 0.88 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6894001 0.88 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6892801 0.87 KDM4E (0.42) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7638195 0.86 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6893174 0.86 KDM4E (0.37) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7635369 0.85 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6770670 0.83 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7632494 0.83 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed