SCHEMBL5095778

SCHEMBL5095778

O=C(O)NC(c1ccccn1)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
ALOX5 P09917 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CSNK1D P48730 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40

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
SCHEMBL2339352 0.79 S1PR2 (0.50) CYP1A2CYP2C9HIF1ATSHRRAB9A
SCHEMBL27283723 0.73 HSD17B10 (0.45) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2836870 0.72 HPGD (0.59) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11363762 0.69 PPARA (0.52) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL12482867 0.68 S1PR2 (0.40) CYP1A2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5536307 0.68 HPGD (0.66) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL23833148 0.68 ALOX5 (0.47) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL181288 0.68 HPGD (0.50) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7593598 0.68 PKM (0.55) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL5159135 0.67 HPGD (0.60) HPGDHSD17B10CYP1A2CYP2C9CYP2C19

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-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed