SCHEMBL8717638

SCHEMBL8717638

c1ccc(CONC2=NSc3cnccc3N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 1/20 0.34
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHEK1 O14757 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL8720054 0.88 IDO1 (0.42) IDO1GAAMAPTL3MBTL1KDM4C
SCHEMBL7069376 0.81 GAA (0.43) IDO1GAAMAPTL3MBTL1KDM4C
SCHEMBL8584700 0.79 NPC1 (0.38) MAPTL3MBTL1MAPK1KMT2AALDH1A1
SCHEMBL8720440 0.79 GAA (0.35) IDO1GAAMAPTL3MBTL1
SCHEMBL8717891 0.78 GAA (0.35) IDO1GAAMAPTL3MBTL1KDM4C
SCHEMBL8722401 0.77 GAA (0.41) IDO1GAAMAPTL3MBTL1
SCHEMBL6618067 0.73 NAMPT (0.37) KDM4CLMNAKMT2APOLBTDP1
SCHEMBL8720104 0.71 GAA (0.42) IDO1GAAMAPTL3MBTL1
SCHEMBL7068593 0.71 KDM4C (0.43) IDO1GAAMAPTL3MBTL1KDM4C
SCHEMBL8722364 0.71 KDM4D (0.46) IDO1GAAMAPTL3MBTL1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877748-A1 PYRIDO-1,2,4-THIADIAZINE AND PYRIDO-1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-18 EP disclosed
WO-1997026264-A1 PYRIDO-1,2,4-THIADIAZINE AND PYRIDO-1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-24 WO disclosed