SCHEMBL7206819

SCHEMBL7206819

CCCCC(c1ncc[nH]1)c1cc(C#N)ncc1OCc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
BCAT2 O15382 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK1 P53350 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
TACR2 P21452 1/20 0.32

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
SCHEMBL5597450 0.83 PLK1 (0.37) MEN1KMT2AATMMAPTHTT
SCHEMBL5597307 0.80 PPARG (0.33) XDHNPC1RAB9ABCAT2MAPT
SCHEMBL4642034 0.76 PPARG (0.33) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2356498 0.76 CYP17A1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4642066 0.71 CCR5 (0.39) XDHMAPTNPSR1
SCHEMBL7206821 0.71 NAMPT (0.36) XDHNPC1RAB9AMAPTHTT
SCHEMBL5597175 0.69 FPR2 (0.38) XDHNPC1RAB9AMAPTHTT
SCHEMBL4642508 0.69 MRGPRX4 (0.39) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL5597418 0.67 MRGPRX4 (0.36) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL19642925 0.66 CYP1A2 (0.44) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed