SCHEMBL4741741

SCHEMBL4741741

Nc1oc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
MAPT P10636 3/20 0.50
NR4A2 P43354 1/20 0.50
NOTUM Q6P988 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
USP1 O94782 1/20 0.47
USP19 O94966 1/20 0.47
WDR48 Q8TAF3 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
GLA P06280 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
ADORA2A P29274 1/20 0.44

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
SCHEMBL11246777 0.81 IKBKB (0.58) IKBKBMAPTNR4A2NOTUMKDM4E
SCHEMBL5154427 0.81 NR4A2 (0.68) IKBKBMAPTNR4A2NOTUMKDM4E
SCHEMBL15716531 0.79 IKBKB (0.56) IKBKBMAPTNOTUMKDM4EALDH1A1
SCHEMBL15716348 0.78 MAPK13 (0.54) MAPTNR4A2KDM4EALDH1A1HPGD
SCHEMBL5154162 0.78 NR4A2 (0.48) IKBKBMAPTNR4A2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL15716993 0.78 IKBKB (0.54) IKBKBMAPTNOTUMKDM4EALDH1A1
SCHEMBL5158055 0.78 IKBKB (0.54) IKBKBMAPTNOTUMKDM4EALDH1A1
SCHEMBL762311 0.77 NR4A2 (0.62) MAPTNR4A2KDM4EALDH1A1HPGD
SCHEMBL2089928 0.75 SMN1; SMN2 (0.50) IKBKBMAPTNR4A2KDM4EALDH1A1
SCHEMBL2089931 0.75 KDM4E (0.56) MAPTKDM4EALDH1A1HPGDUSP1

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
WO-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO claimed
WO-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO disclosed
WO-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO disclosed