SCHEMBL4037473

SCHEMBL4037473

Cc1noc(-c2cccc(F)c2)c1NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LPAR1 Q92633 3/20 0.50
LPAR3 Q9UBY5 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
LPAR2 Q9HBW0 1/20 0.39

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
SCHEMBL4034814 0.86 MAPT (0.53) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4035675 0.84 MAPT (0.67) MAPTKDM4ELPAR1LPAR3HDAC3
SCHEMBL4030049 0.84 MAPT (0.60) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL4034870 0.83 MAPT (0.52) MAPTKDM4ELPAR1LPAR3CYP1A2
SCHEMBL4028907 0.82 LPAR1 (0.80) MAPTKDM4ELPAR1LPAR3HDAC3
SCHEMBL4339483 0.81 NR4A1 (0.44) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL4031711 0.81 MAPT (0.51) MAPTKDM4ELPAR1LPAR3HDAC1
SCHEMBL4029111 0.80 LPAR1 (0.47) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL4030555 0.80 MAPT (0.47) MAPTKDM4ELPAR1LPAR3HDAC1
SCHEMBL4030546 0.80 MAPT (0.47) MAPTKDM4ELPAR1LPAR3HDAC1

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