SCHEMBL5201307

SCHEMBL5201307

[O]c1cccc(-c2ncco2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.50
LTA4H P09960 1/20 0.45
BRD4 O60885 2/20 0.38
HDAC4 P56524 1/20 0.38
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
IL2 P60568 1/20 0.36
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
MGLL Q99685 1/20 0.35
FAAH O00519 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP3A4 P08684 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 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
SCHEMBL3964365 0.86 HPGDS (0.58) HPGDSLTA4HBRD4HDAC4BACE1
SCHEMBL16159319 0.82 HPGDS (0.55) HPGDSLTA4HBRD4HDAC4BACE1
SCHEMBL2152660 0.79 HPGDS (0.61) HPGDSLTA4HHDAC4BACE1BACE2
SCHEMBL15883428 0.78 NPC1 (0.51) HPGDSLTA4H
SCHEMBL764967 0.78 HPGDS (0.50) HPGDSLTA4HCYP3A4
SCHEMBL9510731 0.78 NOTUM (0.54) HPGDSLTA4H
SCHEMBL3098624 0.78 RAB9A (0.51) HPGDSLTA4HBACE1
SCHEMBL18374809 0.78 HPGDS (0.50) HPGDSLTA4HBRD4HDAC4BACE1
SCHEMBL10445886 0.78 HPGDS (0.50) HPGDSLTA4HBRD4HDAC4BACE1
SCHEMBL31277144 0.78 NPC1 (0.51) HPGDSLTA4H

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-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 WO disclosed