SCHEMBL8582807

SCHEMBL8582807

O=C(O)C1NSc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 3/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 3/20 0.34
ALOX15 P16050 3/20 0.34
PTPN7 P35236 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL3044369 0.75 MAPT (0.50) GAAMAPTMEN1KMT2ANPC1
SCHEMBL23673718 0.72 IDO1 (0.50) IDO1GAAMAPTMEN1KMT2A
SCHEMBL27406608 0.71 IDO1 (0.38) IDO1GAAMAPTMEN1KMT2A
SCHEMBL27713636 0.71 IDO1 (0.44) IDO1GAAMAPTMEN1KMT2A
SCHEMBL31536408 0.68 TSHR (0.41) GAAMEN1KMT2AHSD17B10GLA
SCHEMBL8143860 0.65 TNKS2 (0.56) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL31297773 0.65 IDO1 (0.52) IDO1GAAMAPTMEN1KMT2A
SCHEMBL27918261 0.65 IDO1 (0.52) IDO1GAAMAPTMEN1KMT2A
SCHEMBL25288630 0.64 HSD17B10 (0.56) IDO1MAPTMEN1KMT2AHSD17B10
SCHEMBL27404564 0.64 MAPT (0.42) GAAMAPTMEN1KMT2ANPC1

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-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed