SCHEMBL1084451

SCHEMBL1084451

O=S(=O)(CCN1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMAD3 P84022 1/20 0.47
POLB P06746 1/20 0.46
CHEK2 O96017 3/20 0.42
GBA1 P04062 4/20 0.41
CASR P41180 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
RAD52 P43351 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL1083962 0.90 MEN1 (0.53) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084293 0.85 KMT2A (0.58) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084750 0.85 MEN1 (0.54) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084785 0.85 MAPT (0.56) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084106 0.82 ALDH1A1 (0.77) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084621 0.81 MAPT (0.52) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084185 0.81 MEN1 (0.53) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084054 0.80 MAPT (0.56) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL12721527 0.80 SMAD3 (0.73) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL13342690 0.80 SMAD3 (0.54) MAPTALDH1A1TSHRL3MBTL1MEN1

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