SCHEMBL2829108

SCHEMBL2829108

COc1cc(Br)ccc1OC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL1603755 0.84 TSHR (0.62) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL28096890 0.82 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11201873 0.80 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL10960395 0.80 ACHE (0.61) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10962426 0.80 CA12 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1947858 0.79 MAPK1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23924761 0.79 FGFR1 (0.53) ALDH1A1SMN1; SMN2KDM4ETSHRTDP1
SCHEMBL28339401 0.79 FGFR1 (0.53) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
Methyl Alcohol SCHEMBL28799088 0.78 CA2 (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29419589 0.78 CA2 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238131-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - Portela & Ca., S.A. (PT) 2010-10-13 EP disclosed
WO-2009084970-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL-PORTELA & COMPANHIA, S.A. (PT) 2009-07-09 WO disclosed