SCHEMBL1084209

SCHEMBL1084209

CCN(CCCCO)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAPT P10636 6/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
ACP1 P24666 1/20 0.39
DHODH Q02127 1/20 0.39
CASR P41180 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CHEK2 O96017 2/20 0.37
CHEK1 O14757 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1084047 0.93 LMNA (0.50) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084271 0.89 MAPT (0.55) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084609 0.87 MAPT (0.50) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084214 0.85 MAPT (0.56) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084146 0.83 PDE10A (0.47) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1083979 0.82 LMNA (0.48) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084380 0.82 LMNA (0.45) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084255 0.82 LMNA (0.47) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084340 0.81 CASR (0.44) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084404 0.81 MAPT (0.44) LMNAMAPTGAAHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed