SCHEMBL28620430

SCHEMBL28620430

Cc1ccccc1/C(F)=C\C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.46
TGM2 P21980 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
TYK2 P29597 1/20 0.45
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DEGS1 O15121 1/20 0.43
EGFR P00533 2/20 0.42
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL28628677 0.79 DEGS1 (0.49) TGM2CYP1A2NPC1RAB9ADEGS1
SCHEMBL30185540 0.78 TGM2 (0.53) HPGDSMN1; SMN2TGM2CYP1A2NPSR1
SCHEMBL28522658 0.78 EGFR (0.51) HPGDSMN1; SMN2TGM2CYP1A2NPSR1
SCHEMBL28635576 0.78 EGFR (0.51) HPGDSMN1; SMN2TGM2CYP1A2NPSR1
SCHEMBL28633399 0.77 DEGS1 (0.46) SMN1; SMN2TGM2KCNK3KCNK9CYP1A2
SCHEMBL28620583 0.75 NPC1 (0.58) HPGDSMN1; SMN2TGM2NPSR1NPC1
SCHEMBL28640547 0.75 MEN1 (0.55) SMN1; SMN2KCNK3KCNK9FFAR1NPC1
SCHEMBL21993 0.74 HPGD (1.00) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL29238385 0.74 HPGD (0.62) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL28620926 0.73 KMT2A (0.54) TGM2KCNK3KCNK9CYP1A2NPSR1

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-113402412-B (E) Method for synthesizing (E) -beta-fluoroacrylamide derivative 温州大学 2023-02-14 CN disclosed
CN-113402412-A (E) Method for synthesizing (beta) -fluoroacrylamide derivative 温州大学 2021-09-17 CN disclosed