SCHEMBL7319735

SCHEMBL7319735

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(OCCCCCN5CC(C)OC(C)C5)cc4)sc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38

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
SCHEMBL7312995 1.00 KDM4E (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7313012 1.00 KDM4E (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7319717 1.00 KDM4E (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7326851 0.88 HRH3 (0.51) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7312730 0.87 HRH3 (0.62) KDM4EALDH1A1KCNH2HRH3MAPT
SCHEMBL7326355 0.87 HRH3 (0.62) KDM4EALDH1A1KCNH2HRH3MAPT
SCHEMBL7324138 0.87 HRH3 (0.52) KCNH2HRH3MAPTTP53CA12
SCHEMBL7350288 0.86 HRH3 (0.63) KDM4EALDH1A1KCNH2HRH3MAPT
SCHEMBL7319729 0.84 KDM4E (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7313001 0.84 KDM4E (0.53) KDM4EALDH1A1HTTMEN1KMT2A

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