SCHEMBL1084696

SCHEMBL1084696

Cc1ccc2c(N3CCCC3Cc3cccc(Cl)c3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HIF1A Q16665 3/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
GBA1 P04062 1/20 0.42
SMAD3 P84022 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CHEK2 O96017 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
CASR P41180 2/20 0.38
ACVR1 Q04771 1/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36
NR1I2 O75469 1/20 0.35
SMARCA2 P51531 1/20 0.35

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
SCHEMBL1084197 0.93 MAPT (0.45) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084083 0.91 GBA1 (0.50) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084690 0.85 MAPT (0.47) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1083925 0.85 MAPT (0.44) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084253 0.85 MAPT (0.56) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084847 0.83 SMAD3 (0.42) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084498 0.83 MAPT (0.48) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084025 0.82 MAPT (0.47) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084113 0.82 MAPT (0.47) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084675 0.82 MAPT (0.49) 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 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