SCHEMBL11615205

SCHEMBL11615205

CS(=O)(=O)NCCn1nnnc1S.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.34
GHSR Q92847 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL10607988 0.98 PTGES (0.49) PTGESHSD17B10HTTGHSRLMNA
SCHEMBL11617589 0.89 PTGES (0.40) PTGESHSD17B10HTTGHSR
SCHEMBL11615496 0.88 GHSR (0.40) PTGESHSD17B10HTTGHSR
SCHEMBL11668152 0.86 GHSR (0.41) PTGESHSD17B10GHSR
SCHEMBL11038602 0.82 PTGES (0.36) PTGES
SCHEMBL10667828 0.81 PTGES (0.33) PTGES
SCHEMBL11616582 0.80 PTGES (0.41) PTGESHSD17B10
SCHEMBL11617739 0.78 PTGES (0.39) PTGESHSD17B10HTTKMT2A
SCHEMBL10979892 0.76 LMNA (0.33) HSD17B10LMNAKMT2A
SCHEMBL10403870 0.75 ALDH1A1 (0.37) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101656-A 7β-Acylamino-3-(alkanesulfonamidoalkyl substituted tetrazolylthiomethyl) cephalosporins, antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1978-07-18 US disclosed