SCHEMBL5317299

SCHEMBL5317299

O=CC(c1ccncc1)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8377 0.85 GABRA1 (0.43) GABRA1GABRB2HSD17B10KDM4ETSHR
SCHEMBL3398965 0.79 CYP19A1 (0.39) SLC6A2SLC6A4SLC6A3HSD17B10KDM4E
SCHEMBL6631529 0.79 GABRA1 (0.38) GABRA1GABRB2TSHRTRIM24TRIM33
SCHEMBL26999257 0.79 ACP3 (0.41) GABRA1GABRB2HSD17B10TSHRALDH1A1
SCHEMBL26999259 0.79 TSHR (0.39) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
SCHEMBL6501428 0.79 GAA (0.41) SLC6A2SLC6A4SLC6A3HSD17B10KDM4E
SCHEMBL8549265 0.79 GABRA1 (0.38) GABRA1GABRB2KDM4ETSHRTRIM24
SCHEMBL14125895 0.79 GABRA1 (0.42) SLC6A4GABRA1GABRB2HSD17B10TSHR
SCHEMBL1515763 0.77 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3HSD17B10KDM4E
SCHEMBL16062471 0.77 CYP1A2 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT

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-1841747-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK Corporation (KR) 2007-10-10 EP disclosed
WO-2006075888-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK CORPORATION (KR) 2006-07-20 WO disclosed