SCHEMBL7370804

SCHEMBL7370804

NNC(=O)c1ccnc2c(Br)cccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.50
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4A O75164 1/20 0.45
RAB9A P51151 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
HIF1AN Q9NWT6 1/20 0.45
PSMD14 O00487 4/20 0.43
P2RX7 Q99572 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SLC40A1 Q9NP59 2/20 0.41
AR P10275 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL26654648 0.88 P2RX7 (0.50) KDM4EL3MBTL1KDM4ARAB9AEGLN1
SCHEMBL15328824 0.85 SLC40A1 (0.56) PREPKDM4EL3MBTL1KDM4ARAB9A
SCHEMBL15328529 0.83 KDM4E (0.49) PREPKDM4EL3MBTL1KDM4ARAB9A
SCHEMBL4519716 0.81 KDM4E (0.68) PREPKDM4EL3MBTL1KDM4ARAB9A
Hydrochloric Acid SCHEMBL15328531 0.80 KDM4E (0.66) PREPKDM4EL3MBTL1KDM4ARAB9A
SCHEMBL7377364 0.79 PSMD14 (0.68) PREPKDM4EL3MBTL1KDM4ARAB9A
SCHEMBL8185833 0.77 KMT2A (0.63) P2RX7KMT2AMEN1MAPT
SCHEMBL7369890 0.75 NUDT1 (0.52) KDM4EL3MBTL1KDM4ARAB9AEGLN1
SCHEMBL4492459 0.75 P2RX7 (0.63) PREPP2RX7ADORA2A
SCHEMBL5603305 0.74 NSD2 (0.56) PREPKDM4EP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed