SCHEMBL6586159

SCHEMBL6586159

O=C(O)c1cc(F)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PDE10A Q9Y233 1/20 0.62
DHODH Q02127 4/20 0.58
POLB P06746 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ESR1 P03372 1/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL31157024 1.00 KDM4E (0.62) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL31214767 0.86 NCOA1 (0.59) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL28005852 0.86 NPC1 (0.48) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL6586825 0.82 KDM4E (0.68) KDM4ELMNASMN1; SMN2DHODHPOLB
SCHEMBL29359819 0.81 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL18746 0.81 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL662652 0.79 KDM4E (0.64) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL374556 0.79 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
Potassium SCHEMBL93448 0.79 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL69125 0.79 KDM4E (0.64) KDM4ELMNASMN1; SMN2PDE10ADHODH

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