SCHEMBL8612848

SCHEMBL8612848

CON=Cc1cc(-n2c(=O)[nH]c(C(F)(F)F)c(C)c2=O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
HTT P42858 1/20 0.34
NOTUM Q6P988 2/20 0.32
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
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7162422 0.82 BCAT1 (0.33) BCAT2BCAT1
SCHEMBL8105838 0.81 BCAT1 (0.49) BCAT2BCAT1ALDH1A1SMN1; SMN2
SCHEMBL8105836 0.81 BCAT1 (0.49) BCAT2BCAT1ALDH1A1SMN1; SMN2
SCHEMBL8761114 0.79 NOTUM (0.34) TP53HTTNOTUMALDH1A1SMN1; SMN2
SCHEMBL8761988 0.78 NOTUM (0.31) TP53HTTNOTUM
SCHEMBL8612005 0.75 TP53 (0.34) TP53HTTNOTUMBCAT2BCAT1
SCHEMBL8762288 0.74 LMNA (0.33) LMNA
SCHEMBL7752587 0.72 NOTUM (0.31) NOTUM
SCHEMBL7752592 0.72 NOTUM (0.31) NOTUM
SCHEMBL9221707 0.72 ATM (0.52) TP53KDM4EALDH1A1HPGDLMNA

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