SCHEMBL4031817

SCHEMBL4031817

Cc1noc(-c2ccccc2F)c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
TP53 P04637 1/20 0.40
EPAS1 Q99814 1/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
BLVRB P30043 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4028262 0.83 DPP4 (0.43) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4031767 0.83 MAPT (0.47) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4030971 0.82 LPAR1 (0.74) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4035675 0.80 MAPT (0.67) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4034724 0.77 EPAS1 (0.51) MAPTALDH1A1KMT2AEPAS1GAA
SCHEMBL15880627 0.77 HTT (0.45) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4034870 0.77 MAPT (0.52) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4032083 0.77 LPAR1 (0.64) MAPTKDM4ELPAR1LPAR3
SCHEMBL12466023 0.76 KIT (0.41) MAPTKDM4EALDH1A1
SCHEMBL4037473 0.75 MAPT (0.51) MAPTKDM4ELPAR1LPAR3SMN1; SMN2

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-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed