SCHEMBL5593172

SCHEMBL5593172

CNc1coc(-c2ccc(OCc3ccccc3)c(OC(F)F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
PDE4B Q07343 4/20 0.40
NUDT1 P36639 1/20 0.39
PTGER1 P34995 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CSF1R P07333 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35

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
SCHEMBL4279374 0.85 PDE4D (0.36) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL4284397 0.82 TSHR (0.44) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL4278364 0.82 TSHR (0.44) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL29204573 0.81 PDE4D (0.34) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL28238622 0.80 KDM4E (0.43) MAPTHSD17B10TSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29204567 0.79 DHODH (0.36) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL19066414 0.78 KDM4E (0.43) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL4280199 0.78 TSHR (0.41) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL17037229 0.78 TSHR (0.41) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL17037230 0.78 TSHR (0.41) MAPTHSD17B10TSHRKDM4EALDH1A1

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
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed