SCHEMBL7183036

SCHEMBL7183036

CN(C)CCNc1ccc(C#N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NCF1 P14598 2/20 0.45
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
EGLN2 Q96KS0 2/20 0.41
KAT2B Q92831 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC2A1 P11166 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PRSS1 P07477 2/20 0.36
CDK1 P06493 1/20 0.35

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
SCHEMBL4242451 0.88 NCF1 (0.45) ALDH1A1KDM4EGAANCF1SLC6A4
SCHEMBL1206785 0.83 KDM4E (0.51) ALDH1A1KDM4EGAASLC6A4SLC6A2
SCHEMBL31069432 0.83 KDM4E (0.51) ALDH1A1KDM4EGAASLC6A4SLC6A2
SCHEMBL6187977 0.80 KDM4E (0.51) ALDH1A1KDM4EGAAKAT2BPRSS1
SCHEMBL29519346 0.80 KDM4E (0.51) ALDH1A1KDM4EGAAKAT2BPRSS1
SCHEMBL2083380 0.79 KDM4E (0.54) ALDH1A1KDM4EGAASLC6A4SLC6A2
SCHEMBL15585982 0.79 NCF1 (0.47) ALDH1A1NCF1NPSR1SLC2A1HRH3
SCHEMBL24320215 0.79 PTGER4 (0.56) ALDH1A1KDM4EGAANCF1EGLN2
SCHEMBL2866192 0.79 KDM4E (0.48) ALDH1A1KDM4EGAASLC6A4SLC6A2
SCHEMBL11720142 0.78 HDAC6 (0.55) ALDH1A1NCF1SLC6A4NPSR1SLC2A1

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