SCHEMBL7369890

SCHEMBL7369890

CCOC(=O)c1ccnc2c(Br)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
PSMD14 O00487 1/20 0.49
TSHR P16473 2/20 0.46
KDM4E B2RXH2 5/20 0.45
KDM4A O75164 2/20 0.45
CCR6 P51684 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CDC25B P30305 2/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CLEC4M Q9H2X3 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42

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
SCHEMBL7377364 0.84 PSMD14 (0.68) PSMD14KDM4EKDM4AKMT2AMEN1
SCHEMBL7370092 0.83 NUDT1 (0.52) NUDT1PSMD14TSHRKDM4EKDM4A
SCHEMBL27167364 0.83 TSHR (0.50) NUDT1TSHRKDM4ECCR6CDC25B
SCHEMBL25256146 0.82 MEN1 (0.61) KDM4EKMT2AMEN1MAPT
SCHEMBL20138823 0.82 KMT2A (0.51) TSHRKDM4EKMT2AMEN1RAB9A
SCHEMBL3061001 0.81 KMT2A (0.50) TSHRKDM4EKMT2AMEN1RAB9A
SCHEMBL6293263 0.80 KMT2A (0.68) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL437697 0.80 KMT2A (0.68) TSHRKDM4EKMT2AMEN1RAB9A
SCHEMBL6586612 0.80 CCR6 (0.53) TSHRKDM4ECCR6CDC25BKMT2A
SCHEMBL7848859 0.79 TSHR (0.59) TSHRKDM4ECDC25BKMT2AMEN1

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