SCHEMBL28367309

SCHEMBL28367309

O=C(CC(=O)c1ccccc1F)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
NPC1 O15118 4/20 0.67
MAPT P10636 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
HPGD P15428 3/20 0.67
ALOX12 P18054 2/20 0.67
HTT P42858 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
PTPN1 P18031 1/20 0.62
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
KDM4E B2RXH2 4/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
RAB9A P51151 2/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 3/20 0.49

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
SCHEMBL20508992 0.90 PTPN1 (0.74) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL598345 0.88 MEN1 (0.69) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL12532290 0.87 MEN1 (0.80) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL38656798 0.80 KMT2A (1.00) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL5691811 0.80 PTPN1 (0.72) MEN1KMT2ANPC1MAPTHPGD
SCHEMBL8343202 0.79 CES2 (0.60) MEN1KMT2ANPC1MAPTHPGD
SCHEMBL6602830 0.78 PTPN1 (0.65) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL29702370 0.78 MEN1 (0.74) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL1548899 0.78 MEN1 (0.74) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL10648 0.78 ALDH1A1 (0.71) MEN1KMT2ANPC1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107141299-B Substituted pyrrole chromone compound and application thereof 中山大学 2020-03-13 CN disclosed