SCHEMBL8612939

SCHEMBL8612939

CONC(C(C)=O)c1cc(-n2c(=O)[nH]c(C(F)(F)F)c(C)c2=O)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.32
TP53 P04637 2/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 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
SCHEMBL8612005 0.75 TP53 (0.34) NOTUMTP53HTTLMNA
SCHEMBL7756665 0.75 TSHR (0.32) NOTUMLMNA
SCHEMBL8761988 0.74 NOTUM (0.31) NOTUMTP53HTT
SCHEMBL8761114 0.73 NOTUM (0.34) NOTUMTP53HTT
SCHEMBL8612848 0.71 TP53 (0.34) NOTUMTP53HTTLMNA
SCHEMBL9221707 0.71 ATM (0.52) TP53LMNA
SCHEMBL9037994 0.71 TP53 (0.36) TP53HTTLMNA
SCHEMBL8612943 0.70 BCAT2 (0.37)
SCHEMBL8616942 0.69 TP53 (0.32) TP53HTT
SCHEMBL9036658 0.67 TP53 (0.37) TP53HTT

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
EP-0836594-A1 BENZYLHYDROXYLAMINES AND INTERMEDIATES USED TO PREPARE THEM BASF AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed