SCHEMBL9217459

SCHEMBL9217459

O=C(O)c1oc2ccc(-c3ccccc3)cc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
TBK1 Q9UHD2 1/20 0.49
PLA2G2A P14555 3/20 0.47
PLA2G4A P47712 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 2/20 0.42
PGR P06401 1/20 0.41
USP2 O75604 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PTGS1 P23219 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL23610605 0.86 NPC1 (0.52) PTPN1TBK1PLA2G2APLA2G4AL3MBTL1
SCHEMBL8201626 0.84 L3MBTL1 (0.60) L3MBTL1KDM4ETSHRMAPTHPGD
SCHEMBL8401426 0.84 MCL1 (0.61) KDM4EHPGDHSD17B10MCL1CA1
SCHEMBL10374396 0.84 PLA2G2A (0.47) PTPN1TBK1PLA2G2APLA2G4AKDM4E
SCHEMBL31110302 0.83 NPC1 (0.50) TBK1PLA2G2APLA2G4AKDM4EMAPT
SCHEMBL3610930 0.83 PTPN1 (0.59) PTPN1L3MBTL1KDM4ETSHRGLA
SCHEMBL1444187 0.83 MCL1 (0.63) PLA2G2APLA2G4AL3MBTL1KDM4ETSHR
SCHEMBL9217430 0.81 TBK1 (0.46) PTPN1TBK1L3MBTL1KDM4EHPGD
SCHEMBL9219841 0.79 MCL1 (0.63) KDM4EHPGDHSD17B10MCL1CA1
SCHEMBL9212323 0.79 L3MBTL1 (0.51) L3MBTL1KDM4EMAPTHPGDHTT

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-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed