SCHEMBL7635369

SCHEMBL7635369

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(Cl)c4s3)C[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC29A1 Q99808 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL7638195 0.89 KDM4E (0.41) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6894514 0.87 ESR1 (0.41) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6892354 0.87 KDM4E (0.39) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6770670 0.87 KDM4E (0.41) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL7632494 0.87 KDM4E (0.41) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6894001 0.86 KDM4E (0.40) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL7052876 0.86 KDM4E (0.40) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6886812 0.86 KDM4E (0.40) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6886086 0.86 KDM4E (0.40) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL6887442 0.86 KDM4E (0.38) ESR1CHRM1SLC6A4KCNH2SLC29A1

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