SCHEMBL7312737

SCHEMBL7312737

CCOC(=O)c1ccc(-c2cnc3sc(-c4ccc(OCCCCCN5CCCCC5)cc4)nn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.64
KCNH2 Q12809 3/20 0.64
MKNK1 Q9BUB5 6/20 0.52
MKNK2 Q9HBH9 6/20 0.52
HRH4 Q9H3N8 4/20 0.50
CACNA1F O60840 3/20 0.50
BCHE P06276 3/20 0.50
CACNA1D Q01668 3/20 0.50
CACNA1S Q13698 3/20 0.50
CACNA1C Q13936 3/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
HRH1 P35367 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL7326365 1.00 HRH3 (0.64) HRH3KCNH2MKNK1MKNK2HRH4
SCHEMBL7350299 0.99 HRH3 (0.65) HRH3KCNH2MKNK1MKNK2HRH4
SCHEMBL7324143 0.92 HRH3 (0.53) HRH3KCNH2MKNK1MKNK2HRH4
SCHEMBL7326853 0.92 MKNK1 (0.57) HRH3KCNH2MKNK1MKNK2KDM4E
SCHEMBL7313001 0.87 KDM4E (0.53) HRH3KCNH2MKNK1MKNK2KDM4E
SCHEMBL7319729 0.87 KDM4E (0.53) HRH3KCNH2MKNK1MKNK2KDM4E
SCHEMBL6132537 0.86 MKNK1 (0.52) HRH3KCNH2MKNK1MKNK2ALDH1A1
SCHEMBL7326355 0.83 HRH3 (0.62) HRH3KCNH2HRH4CACNA1FBCHE
SCHEMBL7312730 0.83 HRH3 (0.62) HRH3KCNH2HRH4CACNA1FBCHE
SCHEMBL7350288 0.82 HRH3 (0.63) HRH3KCNH2HRH4CACNA1FBCHE

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-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed