SCHEMBL7183531

SCHEMBL7183531

CC(=O)OCC(C)(C)Nc1ccc(C#N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ABCB1 P08183 8/20 0.35
SSTR4 P31391 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
MCHR1 Q99705 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAP2K1 Q02750 3/20 0.33
TBXA2R P21731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7191253 0.81 MAPT (0.47) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL7188766 0.79 CFTR (0.47) ALDH1A1KDM4EGAASSTR4L3MBTL1
SCHEMBL7183015 0.75 KDM4E (0.44) ALDH1A1KDM4EGAAABCC9ABCC8
SCHEMBL7191231 0.75 PTGER4 (0.48) ALDH1A1KDM4EGAAMCHR1MAPT
SCHEMBL7185647 0.75 KDM4E (0.44) ALDH1A1KDM4EGAAABCC9ABCC8
SCHEMBL7194060 0.75 KDM4E (0.54) ALDH1A1KDM4EGAAPDK1PDK2
SCHEMBL7188673 0.73 GAA (0.39) ALDH1A1KDM4EGAAABCC9ABCC8
SCHEMBL7190795 0.73 GAA (0.39) ALDH1A1KDM4EGAAABCC9ABCC8
SCHEMBL7387168 0.72 KDM4E (0.51) ALDH1A1KDM4EGAAPDK1PDK2
SCHEMBL7182956 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed