SCHEMBL8116752

SCHEMBL8116752

N#CC(=O)c1ccccc1CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
FOLH1 Q04609 1/20 0.35
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 3/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
GSK3B P49841 3/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11473722 0.82 CLCN2 (0.41) FOLH1ALDH1A1LMNAKMT2AMAPT
SCHEMBL5597933 0.81 ALDH1A1 (0.36) CYP1A1CYP1A2CYP1B1FOLH1ALDH1A1
SCHEMBL9579734 0.81 FOLH1 (0.35) CYP1A1CYP1A2CYP1B1FOLH1ALDH1A1
SCHEMBL11388477 0.81 ALDH1A1 (0.44) FOLH1ALDH1A1KMT2AALOX15MAPT
SCHEMBL8517295 0.79 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AALOX15MAPT
SCHEMBL3135339 0.77 FOLH1 (0.41) CYP1A2FOLH1PTPN1ALDH1A1LMNA
SCHEMBL2222912 0.75 CES2 (0.41) FOLH1PTPN1ALDH1A1LMNAKMT2A
SCHEMBL30565103 0.75 FOLH1 (0.59) FOLH1ALDH1A1ALOX15MAPTHPGD
SCHEMBL445508 0.75 FOLH1 (0.59) FOLH1ALDH1A1ALOX15MAPTHPGD
SCHEMBL8069191 0.74 KDM4E (0.48) PTPN1ALDH1A1ALOX15MAPTHTT

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
EP-0693061-B1 FUNGICIDAL OXAZOLYL AND OXADIAZOLYL DERIVATIVES ZENECA LTD (GB) 2000-11-22 EP disclosed
EP-0693061-A1 FUNGICIDAL OXAZOLYL AND OXADIAZOLYL DERIVATIVES ZENECA LIMITED (GB) 1996-01-24 EP disclosed
WO-1994022844-A1 FUNGICIDAL OXAZOLYL AND OXADIAZOLYL DERIVATIVES ZENECA LIMITED (GB) 1994-10-13 WO disclosed