SCHEMBL1083997

SCHEMBL1083997

Oc1ccccc1-c1nc(N2CCN(Cc3cccs3)CC2)c2ccc(Cl)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DRD4 P21917 6/20 0.49
SMAD3 P84022 1/20 0.48
DRD5 P21918 2/20 0.47
GBA1 P04062 4/20 0.45
DRD3 P35462 4/20 0.45
DRD2 P14416 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1084353 0.89 MAPT (0.57) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084809 0.86 ALDH1A1 (0.80) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084292 0.86 MAPT (0.69) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084610 0.84 ALDH1A1 (0.64) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084342 0.83 ALDH1A1 (0.74) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084116 0.83 ALDH1A1 (0.57) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL14406060 0.82 ALDH1A1 (0.61) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084167 0.82 ALDH1A1 (0.61) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084422 0.82 MEN1 (0.74) MAPTALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1084449 0.81 ALDH1A1 (0.67) 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