SCHEMBL5016452

SCHEMBL5016452

Oc1ccc(CCc2c[nH]cn2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.48
IGF1R P08069 3/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
ALOX5 P09917 1/20 0.47
BACE1 P56817 1/20 0.47
MAPK1 P28482 3/20 0.46
ADRA2A P08913 2/20 0.46
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
SLC6A2 P23975 2/20 0.46
DRD3 P35462 2/20 0.46
RECQL P46063 2/20 0.46
SLC6A3 Q01959 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46

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
SCHEMBL10740386 0.77 LMNA (0.34) MAPTPTGS1LMNA
SCHEMBL7362771 0.75 BACE1 (0.48) BACE1CYP2D6TAAR1CYP1A2NFKB1
SCHEMBL30631592 0.75 ALOX15 (0.80) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL107956 0.75 ALOX15 (0.80) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL10736157 0.74 CYP1A2 (0.41) TAAR1CYP1A2
SCHEMBL3151668 0.74 GFER (0.52) MAPTALDH1A1GAARECQLTDP1
SCHEMBL224352 0.74 DAO (0.41) ALDH1A1MAPK1HSD17B10TAAR1LMNA
SCHEMBL8431254 0.73 ALOX15 (0.76) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL1753940 0.73 KCNH2 (0.50) ALOX15ALDH1A1BACE1TDP1HSD17B10
SCHEMBL222600 0.72 TAAR1 (0.47) RECQLCYP2D6TAAR1LMNA

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-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed