SCHEMBL11044720

SCHEMBL11044720

CC(=O)Oc1[nH]c(C)nc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.34
GSK3B P49841 2/20 0.33
ADK P55263 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
ACHE P22303 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ESR2 Q92731 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8805743 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL376808 0.67 HSP90AA1 (0.32) HSP90AA1ESR2TDP1
SCHEMBL2776999 0.66
SCHEMBL17979577 0.65
Water SCHEMBL10703278 0.65 HSP90AA1 (0.31) HSP90AA1ESR2TDP1
SCHEMBL28198990 0.65 LMNA (0.34) LMNAKDM4EGLAGAAACHE
SCHEMBL11012742 0.64 KDM4E (0.32) KDM4E
SCHEMBL11262568 0.64 KDM4E (0.32) ALDH1A1KDM4EHPGD
SCHEMBL11526298 0.64 LMNA (0.33) LMNAACHE
SCHEMBL9621256 0.64 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032916-A1 DI-CYANO-GUANIDINES Société de Recherches et de Synthèses Organiques SA (CH) 1981-08-05 EP claimed
EP-0024393-A1 IMINO-ALKYL AND AMINO-NITRYL CYANO-GUANIDINES Société de Recherches et de Synthèses Organiques SA (CH) 1981-03-11 EP claimed
WO-1981000405-A1 DI-CYANO-GUANIDINES RECH SYNTHESES ORGAN (CH) 1981-02-19 WO claimed
WO-1980001694-A1 IMINO-ALKYL AND AMINO-NITRYL CYANO-GUANIDINZE RECH SYNTHESES ORGAN (CH) 1980-08-21 WO claimed
US-4443613-A HISTAMINE ANTOGONIST, ANTISECRETORY, ANTIULCER BAUDET PIERRE J (CH) 1984-04-17 US disclosed
US-4383115-A ANTIULCER AGENTS, ANTISECRETORY AGENTS BAUDET PIERRE J (CH) 1983-05-10 US disclosed
EP-0032916-A1 DI-CYANO-GUANIDINES Société de Recherches et de Synthèses Organiques SA (CH) 1981-08-05 EP disclosed
EP-0032143-A1 IMINO-ALKYL AND AMINO-NITRIL CYANO-GUANIDINES Société de Recherches et de Synthèses Organiques SA (CH) 1981-07-22 EP disclosed
EP-0024393-A1 IMINO-ALKYL AND AMINO-NITRYL CYANO-GUANIDINES Société de Recherches et de Synthèses Organiques SA (CH) 1981-03-11 EP disclosed
WO-1981000405-A1 DI-CYANO-GUANIDINES RECH SYNTHESES ORGAN (CH) 1981-02-19 WO disclosed
WO-1981000255-A1 IMINO-ALKYL AND AMINO-NITRIL CYANO-GUANIDINES RECH SYNTHESES ORGAN (CH) 1981-02-05 WO disclosed
WO-1980001694-A1 IMINO-ALKYL AND AMINO-NITRYL CYANO-GUANIDINZE RECH SYNTHESES ORGAN (CH) 1980-08-21 WO disclosed