SCHEMBL7319729

SCHEMBL7319729

CCOC(=O)c1ccc(-c2cnc3sc(-c4ccc(OCCCCCN5CC(C)OC(C)C5)cc4)nn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MKNK1 Q9BUB5 8/20 0.46
MKNK2 Q9HBH9 8/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7313001 1.00 KDM4E (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7326853 0.87 MKNK1 (0.57) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7326365 0.87 HRH3 (0.64) KDM4EALDH1A1KCNH2HRH3MKNK1
SCHEMBL7312737 0.87 HRH3 (0.64) KDM4EALDH1A1KCNH2HRH3MKNK1
SCHEMBL7324143 0.86 HRH3 (0.53) KCNH2HRH3MKNK1MKNK2
SCHEMBL7350299 0.86 HRH3 (0.65) KDM4EALDH1A1KCNH2HRH3MKNK1
SCHEMBL7313012 0.84 KDM4E (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7312995 0.84 KDM4E (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7319735 0.84 KDM4E (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7319717 0.84 KDM4E (0.51) 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