SCHEMBL6196471

SCHEMBL6196471

CN(C)CCn1ccc(=O)c(O)c1C(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 2/20 0.40
HRH1 P35367 2/20 0.38
APP P05067 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
COMT P21964 1/20 0.35
HTR1D P28221 1/20 0.34
HTR6 P50406 1/20 0.34
ALOX15 P16050 1/20 0.34
DUT P33316 1/20 0.34

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
SCHEMBL6195293 0.84 KDM4E (0.41) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6197640 0.82 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6196888 0.80 HTT (0.48) HTTSMN1; SMN2
SCHEMBL8850201 0.80 FABP4 (0.40) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6197604 0.79 MAPK1 (0.48) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6198182 0.79 KMT2A (0.42) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6197536 0.79 CYP2D6 (0.38) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6193484 0.78 KDM4E (0.47) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL27481986 0.77 KMT2A (0.41) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6199137 0.76 KDM4E (0.40) KDM4ETP53CYP2D6HTTSMN1; SMN2

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-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed