SCHEMBL29162198

SCHEMBL29162198

O=c1nc(N(c2cc(F)cc(I)c2)C(F)C(F)F)c2cc(F)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
FEN1 P39748 1/20 0.32
CNR1 P21554 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30
MPO P05164 1/20 0.30
DAO P14920 1/20 0.30
ACHE P22303 1/20 0.30
MAT2A P31153 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
SCHEMBL29162191 0.84 MAT2A (0.50) KDM4ELMNASMN1; SMN2MAT2A
SCHEMBL30095575 0.77 AR (0.35) KDM4EALDH1A1GLAGAAHTT
SCHEMBL24807299 0.77 AR (0.35) KDM4EALDH1A1GLAGAAHTT
SCHEMBL29162194 0.77
SCHEMBL24808395 0.70 AR (0.34) KDM4EALDH1A1GLAGAAHTT
SCHEMBL29210707 0.68 SOS1 (0.30)
SCHEMBL29210705 0.65 GAA (0.34) GAA
SCHEMBL24807300 0.65 AR (0.40) KEAP1NFE2L2LMNASMN1; SMN2
SCHEMBL30095637 0.64
SCHEMBL10746430 0.63 KEAP1 (0.56) KDM4EALDH1A1GLAGAAHTT

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