SCHEMBL28586902

SCHEMBL28586902

C=CC(=O)NCC(F)(F)F.C=CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.53
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
ABCC9 O60706 2/20 0.47
ABCC8 Q09428 2/20 0.47
KCNJ11 Q14654 2/20 0.47
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
KCNJ8 Q15842 2/20 0.47
PDK4 Q16654 2/20 0.47
ABCB11 O95342 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.45

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
SCHEMBL39036 0.85 TGM2 (0.72) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL28574600 0.83 TGM2 (0.54) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL28569468 0.82 TGM2 (0.53) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL29684447 0.76 TGM2 (0.72) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL23667289 0.75 TGM2 (0.62) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16711125 0.74 ALDH1A1 (0.50) TGM2ALDH1A1MEN1KMT2AMAPT
Benzophenone SCHEMBL1200240 0.74 ALDH1A1 (0.59) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL1695817 0.73 TSHR (0.54) TGM2ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL19889016 0.72 TGM2 (0.66) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL81209 0.72 TGM2 (1.00) TGM2LMNAF13A1TGM1TGM3

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-108291984-B Color-converting photonic crystal structure and color-converting photonic crystal sensor using same 韩国化学研究院 2021-01-22 CN disclosed