SCHEMBL7626740

SCHEMBL7626740

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3csc4cncn34)C[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC29A1 Q99808 1/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
IDO1 P14902 2/20 0.30
TDO2 P48775 2/20 0.30

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
SCHEMBL7628637 0.82 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6893026 0.82 ESR1 (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7628225 0.81 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7631777 0.81 IDO1 (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7634266 0.81 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7626058 0.80 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6891146 0.80 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6890722 0.80 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL8195459 0.80 IDO1 (0.30) IDO1TDO2
SCHEMBL8198918 0.80 HTR7 (0.32)

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