SCHEMBL7628637

SCHEMBL7628637

Cc1c(C2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)sc2cncn12

nearest known ligand 0.41

Predicted protein targets (top 9)

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
IDO1 P14902 16/20 0.38
TDO2 P48775 14/20 0.38

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
SCHEMBL6892458 0.89 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6893929 0.89 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6894075 0.88 KDM4E (0.42) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7631777 0.87 IDO1 (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6894060 0.87 IDO1 (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6891249 0.83 ESR1 (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7648140 0.83 IDO1 (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7626740 0.82 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6897271 0.82 KDM4E (0.36) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7632501 0.81 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