SCHEMBL5824142

SCHEMBL5824142

Cn1nc(C(O)n2nc(C=O)c3ccccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
SLC22A2 O15244 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL465585 0.80 ALDH1A1 (0.46) KDM4ESMN1; SMN2MAPTHTTNPSR1
SCHEMBL29561158 0.80 ALDH1A1 (0.46) KDM4ESMN1; SMN2MAPTHTTNPSR1
SCHEMBL4477389 0.75 HTR4 (0.41) SSTR4SMN1; SMN2POLBALDH1A1IMPDH2
SCHEMBL28277150 0.73 ALDH1A1 (0.40) KDM4ESMN1; SMN2MAPTHTTNPSR1
SCHEMBL12535857 0.72 KDM4E (0.50) SSTR4KDM4ESMN1; SMN2HTR3ESLC22A2
SCHEMBL2738313 0.68 KDM4E (0.49) SSTR4KDM4ESMN1; SMN2NPSR1HTR3E
SCHEMBL12535855 0.68 KDM4E (0.43) SSTR4KDM4ESMN1; SMN2HTR3ESLC22A2
SCHEMBL24783439 0.68 SMN1; SMN2 (0.55) SSTR4KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL22440097 0.67 KDM4E (0.42) SSTR4KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL16092003 0.67 KDM4E (0.41) KDM4EMAPTNPSR1ALDH1A1IMPDH2

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-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 WO disclosed