SCHEMBL8056548

SCHEMBL8056548

O=C(O)Cn1nnnc1S.[KH].[KH]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALOX15 P16050 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
SCHEMBL829258 0.98 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CMAPK1LMNA
SCHEMBL11228531 0.96 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CMAPK1LMNA
SCHEMBL10831559 0.82 ALDH1A1 (0.38) ALDH1A1HPGDKDM4CMAPK1CYP1A2
SCHEMBL7764233 0.80 MAPK1 (0.36) ALDH1A1HPGDKDM4CMAPK1LMNA
SCHEMBL7764225 0.80 MAPK1 (0.36) ALDH1A1HPGDKDM4CMAPK1CYP1A2
SCHEMBL631249 0.78 MAPK1 (0.35) ALDH1A1HPGDKDM4CMAPK1CYP1A2
SCHEMBL829121 0.78 EGLN3 (0.44) ALDH1A1HPGDKDM4CMAPK1CYP1A2
SCHEMBL11228534 0.78 MAPK1 (0.35) ALDH1A1HPGDKDM4CMAPK1CYP1A2
Potassium Ion SCHEMBL8056549 0.78 MAPK1 (0.35) ALDH1A1HPGDKDM4CMAPK1CYP1A2
SCHEMBL10999456 0.77 MAPK1 (0.34) ALDH1A1HPGDMAPK1GAA

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
US-6150351-A ADMINISTERING AN EFFECTIVE AMOUNT OF THE CEPHEM COMPOUND TO A PATIENT SUFFERING FROM DISEASES CAUSED BY HELICOBACTER PYLORI FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-21 US disclosed
EP-0882052-A1 NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
WO-1997029111-A1 NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-14 WO disclosed