SCHEMBL28521971

SCHEMBL28521971

O=C(CC(F)(F)F)Nc1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 4/20 0.63
ACP1 P24666 1/20 0.63
NCS1 P62166 1/20 0.61
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
MAPK1 P28482 2/20 0.60
DYRK1A Q13627 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HTT P42858 1/20 0.60
ADORA1 P30542 1/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59

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
SCHEMBL29483685 1.00 CSNK1D (0.64) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Ethylene SCHEMBL8167289 0.84 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4862601 0.81 POLB (0.74) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29485044 0.81 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29282910 0.81 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29485043 0.81 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6190386 0.81 ADORA1 (0.65) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7933388 0.81 HDAC3 (0.71) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4858014 0.81 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6206186 0.81 RAB9A (0.72) CSNK1DSMN1; SMN2NFKB1NFKB2RELA

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-112341368-B Method for synthesizing alpha-fluorinated thioacrylamide derivative 温州大学 2022-04-29 CN disclosed
CN-112341368-A Method for synthesizing alpha-fluorinated thioacrylamide derivative 温州大学 2021-02-09 CN disclosed