SCHEMBL6590640

SCHEMBL6590640

COC(=O)c1cc(OC)nc2c(F)cccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ADORA2A P29274 3/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
RAB9A P51151 1/20 0.45
PSMD14 O00487 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 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
SCHEMBL7381678 0.89 KDM4E (0.53) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL6588825 0.87 AURKA (0.54) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL16832379 0.84 ADORA2A (0.47) ADORA2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL16832388 0.81 GRM2 (0.56) ADORA2AKDM4EPSMD14AURKA
SCHEMBL7487026 0.77 KDM4E (0.68) L3MBTL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL22492423 0.75 PSMD14 (0.68) L3MBTL1ADORA2AKDM4ENPSR1NPC1
SCHEMBL2222961 0.73 ADORA2A (0.47) ADORA2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3990345 0.72 ADORA2A (0.38) ADORA2AKDM4EALDH1A1HPGDNPC1
SCHEMBL3281586 0.72 NQO2 (0.47) ADORA2AKDM4EALDH1A1HPGD
SCHEMBL2222480 0.72 ADORA2A (0.47) ADORA2AKDM4EALDH1A1HPGDNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed