SCHEMBL28900899

SCHEMBL28900899

O=C1Oc2ccccc2CC1=Cc1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.60
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TYR P14679 1/20 0.45
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
CISD1 Q9NZ45 1/20 0.42
NAT1 P18440 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL4787510 0.78 MAOB (0.56) MIFALDH1A1MAOBMAOACYP1A2
SCHEMBL3125454 0.78 MAOB (0.56) MIFALDH1A1MAOBMAOACYP1A2
SCHEMBL14026630 0.78 MAOB (0.56) MIFALDH1A1MAOBMAOACYP1A2
SCHEMBL18290567 0.75 MIF (1.00) MIFALDH1A1MEN1KMT2ATYR
SCHEMBL980510 0.73 MAOB (0.43) MIFALDH1A1MEN1KMT2AMAOB
SCHEMBL980512 0.73 MAOB (0.43) MIFALDH1A1MEN1KMT2AMAOB
SCHEMBL28875475 0.71 MIF (0.54) MIFALDH1A1MEN1KMT2AMCL1
SCHEMBL31483396 0.70 MAOB (0.47) MIFALDH1A1MEN1KMT2ANPSR1
SCHEMBL5585089 0.69 ALDH1A1 (0.61) MIFALDH1A1KMT2ANAT1TRIM24
SCHEMBL17691431 0.69 IKBKB (0.65) MIFALDH1A1MEN1KMT2AMCL1

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
CN-111646966-B Fluorescent type ring iridium (III) complex modified by coumarin as well as preparation method and application thereof 曲阜师范大学 2022-02-15 CN disclosed
CN-111646966-A Fluorescent type ring iridium (III) complex modified by coumarin as well as preparation method and application thereof 曲阜师范大学 2020-09-11 CN disclosed