SCHEMBL11037997

SCHEMBL11037997

N=c1[nH]c(C(=O)C(=O)O)cs1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 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
SCHEMBL11009853 0.77 SMN1; SMN2 (0.39) CPT1B
SCHEMBL11007084 0.68
SCHEMBL11007068 0.68
SCHEMBL11184502 0.65 NPC1 (0.32)
SCHEMBL11184500 0.65 NPC1 (0.32)
SCHEMBL9585659 0.57 HMBS (0.43) CPT1B
SCHEMBL7611819 0.55 CPT1B (0.78) CPT1B
Hydrochloric Acid SCHEMBL29249310 0.53 CPT1B (0.74) CPT1B
SCHEMBL2362917 0.49 CPT1B (0.52) CPT1B
SCHEMBL70048 0.47 NFKB1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041655-B1 2-(2-AMINO-THIAZOL-4-YL)-N-(IMIDAZOLIDIN AND PERHYDRO-1,3-DIAZIN-2-ON-1-YL)-2-IMINOACETYLCEPHALOSPORINS OF THE SYN-FORM, AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-07-25 EP disclosed
EP-0041655-A2 2-(2-Amino-thiazol-4-yl)-N-(imidazolidin and perhydro-1,3-diazin-2-on-1-yl)-2-iminoacetylcephalosporins of the syn-form, and process for their preparation BAYER AG (DE) 1981-12-16 EP disclosed