SCHEMBL1083979

SCHEMBL1083979

CCN(CCCCO)c1nc(-c2ccccc2O)nc2cc(C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 8/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 6/20 0.40
ACP1 P24666 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 5/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
CHEK2 O96017 2/20 0.37
CHEK1 O14757 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1084730 0.93 LMNA (0.46) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084255 0.89 LMNA (0.47) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084801 0.87 LMNA (0.58) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084369 0.86 MAPT (0.48) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084467 0.85 MAPT (0.51) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084209 0.82 LMNA (0.53) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084624 0.82 MAPT (0.46) LMNAMAPTGAAHIF1AKDM4E
SCHEMBL1084708 0.82 KMT2A (0.41) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084572 0.81 KMT2A (0.42) LMNAMAPTGAAHIF1AALDH1A1
SCHEMBL1084684 0.80 MAPT (0.42) LMNAMAPTGAAHIF1AALDH1A1

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