SCHEMBL4648045

SCHEMBL4648045

COc1ccc2c(c1)C=C/C(=N\NC(N)=O)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.36
BLM P54132 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL4648052 1.00 PTPRC (0.40) PTPRCSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL4648727 0.80 KMT2A (0.39) PTPRCMEN1KMT2AKDM4EGAA
SCHEMBL4648731 0.80 KMT2A (0.39) PTPRCMEN1KMT2AKDM4EGAA
Naftazone SCHEMBL1697156 0.76 MEN1 (0.44) PTPRCSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14101161 0.72 KMT2A (0.36) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4646835 0.72 KDM4E (0.40) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL4646829 0.72 KDM4E (0.40) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL4648906 0.72 KMT2A (0.39) PTPRCMEN1KMT2AKDM4EGAA
SCHEMBL4648903 0.72 KMT2A (0.39) PTPRCMEN1KMT2AKDM4EGAA
SCHEMBL4648976 0.72 PSMD14 (0.39) SMN1; SMN2MAPTMEN1KMT2AKDM4E

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-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed