SCHEMBL1083807

SCHEMBL1083807

CCN(CC)c1nc(-c2ccccc2O)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
GAA P10253 1/20 0.67
HIF1A Q16665 1/20 0.67
ACP1 P24666 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
TSHR P16473 4/20 0.59
POLB P06746 2/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHEK2 O96017 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
AGTR1 P30556 1/20 0.50

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
SCHEMBL4514696 0.90 LMNA (0.61) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084412 0.87 TSHR (0.58) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1083959 0.84 MAPT (0.55) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084483 0.84 MAPT (0.51) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084299 0.84 RXFP1 (0.52) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1083829 0.84 CYP2D6 (0.70) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL4497869 0.83 MAPT (0.57) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1083944 0.83 LMNA (0.81) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1083853 0.83 ACP1 (0.67) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084252 0.83 ACP1 (0.67) MAPTGAAHIF1AACP1L3MBTL1

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