SCHEMBL9575647

SCHEMBL9575647

C=C(F)C(=O)Oc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NCEH1 Q6PIU2 1/20 0.32
GPR35 Q9HC97 2/20 0.32
HTT P42858 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL9576755 0.82 GAA (0.33) GPR35
SCHEMBL9575225 0.81 HSD17B10 (0.41)
SCHEMBL9575667 0.81 PDK1 (0.35) GPR35HTT
SCHEMBL9575456 0.80 TTR (0.33) TTR
SCHEMBL23621178 0.76 MEN1 (0.48) MEN1TTRALBKMT2ACYP1A2
SCHEMBL9575413 0.75
SCHEMBL9575314 0.72 HSD17B10 (0.34)
SCHEMBL9576125 0.71 F2 (0.45) MEN1KMT2AF2
SCHEMBL9575395 0.71 HPGD (0.35)
SCHEMBL7715334 0.70 MEN1 (0.42) MEN1TTRALBKMT2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266668-A Substituted phenyl α-fluoroacrylates HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed
EP-0249867-B1 SUBSTITUTED PHENYL ESTERS OF ALPHA-FLUOROACRYLIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
EP-0249867-A2 Substituted phenyl esters of alpha-fluoroacrylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-23 EP disclosed