SCHEMBL3873142

SCHEMBL3873142

O=C(c1ccccc1F)N1CCCC(c2cnc(-c3ccc(F)c(F)c3)s2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.45
FEN1 P39748 3/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PDE2A O00408 3/20 0.41
PROKR1 Q8TCW9 1/20 0.41
GRM5 P41594 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL410363 0.90 MEN1 (0.47) ALOX5APFEN1MEN1KMT2AUBE2M
SCHEMBL3874676 0.83 UBE2M (0.45) ALOX5APFEN1MEN1KMT2AUBE2M
SCHEMBL3885085 0.83 ALOX5AP (0.49) ALOX5APFEN1MEN1KMT2AUBE2M
SCHEMBL3877890 0.80 ALOX5AP (0.45) ALOX5APFEN1MEN1KMT2AALDH1A1
SCHEMBL3886420 0.79 HPGDS (0.52) ALOX5APFEN1MEN1KMT2APDE2A
SCHEMBL3874494 0.79 MEN1 (0.48) ALOX5APFEN1MEN1KMT2AALDH1A1
SCHEMBL3880121 0.78 MEN1 (0.48) ALOX5APFEN1MEN1KMT2AALDH1A1
SCHEMBL3881888 0.75 HSD11B1 (0.61) MEN1KMT2AALDH1A1LMNAGRM5
SCHEMBL410528 0.74 POLB (0.48) ALOX5APFEN1MEN1KMT2AUBE2M
SCHEMBL3875010 0.74 ALOX5AP (0.45) ALOX5APFEN1MEN1KMT2AALDH1A1

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-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP claimed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP claimed