SCHEMBL5290053

SCHEMBL5290053

Nc1ccc2c(c1)SNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
CA9 Q16790 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
APAF1 O14727 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL5591880 0.83 BLM (0.37) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL16898094 0.75 PNMT (0.41) ADRA2AADRA2BADRA2CHTR2CHTR2B
SCHEMBL5323984 0.75 PNMT (0.41) MAPTADRA2AADRA2BADRA2CSLC6A2
SCHEMBL14292749 0.75 EPHX2 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29700011 0.69
SCHEMBL17058097 0.67
SCHEMBL7781679 0.67 RYR2 (0.45) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL28993067 0.67 RYR2 (0.45) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL4579661 0.67 RYR2 (0.45) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL329725 0.64 MAPT (0.43) MAPTMEN1KMT2AKDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007085540-A1 1H-INDAZ0L-4-YL-2 , 4-PYRIMIDINEDIAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-08-02 WO disclosed
WO-2007009681-A1 1 , 1-DIOXID0-2 , 3-DIHYDRO-l , 2-BENZISOTHIAZ0L-6-YL-1H-INDAZOL-4-YL-2 , 4-PYRIMIDINEDI AMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 WO disclosed