SCHEMBL28835928

SCHEMBL28835928

COC(=O)c1c(F)cc(-c2ccc(F)cc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
LMNA P02545 1/20 0.50
ERN1 O75460 1/20 0.49
IKBKB O14920 1/20 0.48
DHODH Q02127 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GCGR P47871 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL29936735 0.86 KDM4E (0.51) SLC6A3LMNAERN1DHODHKMT2A
SCHEMBL22914552 0.86 ERN1 (0.47) SLC6A3LMNAERN1IKBKBDHODH
SCHEMBL30638614 0.86 DHODH (0.49) LMNAERN1DHODHMEN1KMT2A
SCHEMBL28836035 0.85 ERN1 (0.41) SLC6A4SLC6A3LMNAERN1IKBKB
SCHEMBL28835850 0.85 RXRA (0.54) LMNAERN1RAB9AKDM4EMAPK1
SCHEMBL2941745 0.81 SLC6A3 (0.57) SLC6A4SLC6A3ERN1IKBKBMEN1
SCHEMBL1110779 0.81 KMT2A (0.49) SLC6A4SLC6A3LMNAMEN1KMT2A
SCHEMBL184208 0.80 KDM4E (0.61) SLC6A4SLC6A3LMNAERN1IKBKB
SCHEMBL4486670 0.80 KDM4E (0.57) SLC6A4SLC6A3LMNAERN1IKBKB
SCHEMBL28835849 0.78 ERN1 (0.59) LMNAERN1MEN1KMT2ANPC1

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-115010600-B Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction 四川大学 2023-11-17 CN disclosed
CN-115010600-A Method for synthesizing polyfluoroaryl carboxylic acid compounds based on aryl fluorocarbon bond carboxylation reaction 四川大学 2022-09-06 CN disclosed