SCHEMBL28630497

SCHEMBL28630497

CCCCN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.36
F2R P25116 3/20 0.34
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 0.34
RXFP1 Q9HBX9 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 2/20 0.33
CTSS P25774 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28619763 0.93 MLYCD (0.38) MLYCDF2RRXFP1S1PR1CTSS
SCHEMBL29114034 0.92 PTGES (0.35) KCNK3KCNK9RXFP1HDAC6HDAC1
SCHEMBL28621340 0.92 TSHR (0.38) F2RKCNK3KCNK9RXFP1MEN1
SCHEMBL31679336 0.92 TSHR (0.38) F2RKCNK3KCNK9RXFP1MEN1
SCHEMBL29114026 0.92 HPGD (0.34) F2RKCNK3KCNK9RXFP1HDAC6
SCHEMBL29028658 0.91 PTGES (0.36) KCNK3KCNK9RXFP1MEN1LMNA
SCHEMBL29114043 0.90 CTSS (0.35) F2RKCNK3KCNK9RXFP1MEN1
SCHEMBL12569770 0.89 KCNK3 (0.34) F2RKCNK3KCNK9RXFP1MEN1
SCHEMBL29114033 0.87 PTGES (0.34) RXFP1HDAC6HDAC1MAPTKMT2A
SCHEMBL29265436 0.87 EPHX2 (0.34) F2RKCNK3KCNK9ALDH1A1MEN1

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-113321595-A Metadiamide compound and application thereof 南通泰禾化工股份有限公司 2021-08-31 CN disclosed