SCHEMBL5260747

SCHEMBL5260747

CCN(CC)CCOc1ccc(OC)c([N+](=O)[O-])c1.O=[N+]([O-])c1cccc(OCOCCCl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
KCNH2 Q12809 1/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
LMNA P02545 2/20 0.39
ALK Q9UM73 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
EBP Q15125 1/20 0.37
ESR2 Q92731 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37

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
SCHEMBL5497990 0.86 PRMT5 (0.49) KCNH2MAPTHPGDALDH1A1PRMT5
SCHEMBL5257549 0.83 MAPT (0.44) CHRNB2CHRNA4MAPTHPGDALDH1A1
SCHEMBL2969839 0.82 PRMT5 (0.54) KCNH2MAPTHPGDALDH1A1PRMT5
SCHEMBL1735199 0.79 CHRNB2 (0.74) CHRNB2CHRNA4KCNH2MAPTHPGD
SCHEMBL3402348 0.78 CHRNB2 (0.56) CHRNB2CHRNA4MAPTHPGDALDH1A1
SCHEMBL2969471 0.76 ALDH1A1 (0.52) MAPTHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL2976365 0.74 MAPT (0.50) KCNH2MAPTALDH1A1PRMT5WDR77
SCHEMBL4935255 0.73 CHRNB2 (0.68) CHRNB2CHRNA4KCNH2MAPTHPGD
SCHEMBL1284065 0.73 CHRNB2 (0.68) CHRNB2CHRNA4KCNH2MAPTHPGD
SCHEMBL20303777 0.72 CHRNB2 (0.55) CHRNB2CHRNA4MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed