SCHEMBL8612005

SCHEMBL8612005

CONCc1cc(-n2c(=O)[nH]c(C(F)(F)F)c(C)c2=O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
HTT P42858 1/20 0.34
BCAT2 O15382 3/20 0.32
BCAT1 P54687 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL8616942 0.84 TP53 (0.32) TP53HTT
SCHEMBL8612939 0.75 NOTUM (0.32) TP53HTTLMNANOTUM
SCHEMBL8612848 0.75 TP53 (0.34) TP53HTTBCAT2BCAT1KDM4E
SCHEMBL7752603 0.72 MEN1 (0.31) KMT2AAR
SCHEMBL9221707 0.72 ATM (0.52) TP53KDM4EALDH1A1HPGDCYP1A2
SCHEMBL8761114 0.71 NOTUM (0.34) TP53HTTALDH1A1SMN1; SMN2NOTUM
SCHEMBL7141262 0.70 KDM4E (0.31) TP53KDM4EALDH1A1HPGDLMNA
SCHEMBL8173603 0.69 RXFP1 (0.31)
SCHEMBL8173601 0.68
SCHEMBL6983998 0.68

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