SCHEMBL29162191

SCHEMBL29162191

O=c1nc(N(c2cc(F)cc(I)c2)C(F)C(F)F)c2ccc(Cl)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 7/20 0.50
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
PIM1 P11309 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HAVCR2 Q8TDQ0 2/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL29162198 0.84 KDM4E (0.33) MAT2AKDM4ESMN1; SMN2LMNA
SCHEMBL29210707 0.79 SOS1 (0.30)
SCHEMBL24808651 0.79 MAT2A (0.49) MAT2AKDM4EMEN1CASP1KMT2A
SCHEMBL29162195 0.78 MAT2A (0.51) MAT2AKDM4EMEN1CASP1KMT2A
SCHEMBL29162209 0.78 MAT2A (0.40) MAT2A
SCHEMBL29210705 0.75 GAA (0.34)
SCHEMBL24807047 0.73 MAT2A (0.62) MAT2AKDM4EMEN1CASP1KMT2A
SCHEMBL24807057 0.72 MAT2A (0.51) MAT2AKDM4EMEN1CASP1KMT2A
SCHEMBL29162211 0.69 MAT2A (0.41) MAT2A
SCHEMBL30639628 0.68 MAT2A (1.00) MAT2AKDM4EMEN1CASP1KMT2A

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-117480155-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-30 CN disclosed