SCHEMBL22914552

SCHEMBL22914552

COC(=O)c1c(F)cc(-c2ccc(N)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.44
IKBKB O14920 1/20 0.42
PRKCZ Q05513 1/20 0.42
RAB9A P51151 1/20 0.41
BDKRB1 P46663 5/20 0.41
KIF11 P52732 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA7 P43166 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
SCHEMBL28835928 0.86 SLC6A4 (0.50) ERN1LMNAIKBKBRAB9ABDKRB1
SCHEMBL29936735 0.83 KDM4E (0.51) ERN1LMNARAB9AMAPTMAPK1
SCHEMBL30638614 0.83 DHODH (0.49) ERN1LMNAGAAPRKCZRAB9A
SCHEMBL5967903 0.82 GAA (0.43) LMNAGAAIKBKBMAPTMAPK1
SCHEMBL38655411 0.82 GAA (0.54) ERN1GAAIKBKBRAB9AKIF11
SCHEMBL28835850 0.82 RXRA (0.54) ERN1LMNARAB9AMAPK1HSD17B10
SCHEMBL28836035 0.79 ERN1 (0.41) ERN1LMNAGAAIKBKBBDKRB1
SCHEMBL28835849 0.75 ERN1 (0.59) ERN1LMNARAB9AMAPTMAPK1
SCHEMBL595996 0.74 CA1 (0.62) ERN1LMNAGAARAB9AMAPT
SCHEMBL1110779 0.74 KMT2A (0.49) LMNAGAARAB9AMAPTMAPK1

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
WO-2021014855-A1 COMPOUND, COMPOSITION, FILM, LAMINATE, AND DISPLAY DEVICE 住友化学株式会社 2021-01-28 WO disclosed
WO-2021014856-A1 COMPOSITION, FILM, LAMINATE, AND DISPLAY DEVICE 住友化学株式会社 2021-01-28 WO disclosed