SCHEMBL5089880

SCHEMBL5089880

O=C(O)NCc1ncccc1-c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 9/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP6 P55212 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 4/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 1/20 0.45
JMJD7 P0C870 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL4167565 0.74 RAB9A (0.57) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL2939268 0.73 HPGD (0.64) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL14939070 0.72 KDM4E (0.66) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL16581342 0.71 KDM4E (0.64) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL13116807 0.70 KDM4E (0.62) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL698939 0.70 MAPT (0.64) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL2749129 0.70 NPC1 (0.66) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL2481124 0.70 KDM4E (0.62) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL231307 0.70 KDM4E (0.75) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL28303204 0.70 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EPOLBMAPT

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