SCHEMBL1084253

SCHEMBL1084253

CCC1CCCN1c1nc(-c2ccccc2O)nc2cc(C)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
HIF1A Q16665 3/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
NR1I2 O75469 1/20 0.49
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
PBRM1 Q86U86 1/20 0.49
SMAD3 P84022 1/20 0.47
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CHEK2 O96017 1/20 0.44
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
NPY5R Q15761 1/20 0.40

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
SCHEMBL1084230 0.97 MAPT (0.60) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084498 0.92 MAPT (0.48) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084113 0.89 MAPT (0.47) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084706 0.89 MAPT (0.45) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084083 0.89 GBA1 (0.50) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084675 0.89 MAPT (0.49) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084753 0.89 MAPT (0.51) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084546 0.89 MAPT (0.47) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084670 0.87 MAPT (0.49) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084417 0.87 MAPT (0.51) MAPTL3MBTL1HIF1AHTTALDH1A1

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 7 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