SCHEMBL5679677

SCHEMBL5679677

COc1cc(-c2cccc(CN3CCN(Cc4cccc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
JAK2 O60674 6/20 0.46
JAK1 P23458 6/20 0.46
BRD4 O60885 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
TYK2 P29597 5/20 0.45
JAK3 P52333 5/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
HTR7 P34969 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
Fumaric Acid SCHEMBL5683752 0.87 HDAC8 (0.46) TP53LMNAMEN1ALDH1A1KMT2A
Fumaric Acid SCHEMBL5683755 0.87 HDAC8 (0.46) TP53LMNAMEN1ALDH1A1KMT2A
SCHEMBL5679729 0.80 BRD4 (0.47) TP53BRD4LMNAMEN1ALDH1A1
SCHEMBL5681150 0.80 HDAC8 (0.49) BRD4LMNAALDH1A1HDAC8KDM4E
SCHEMBL4763713 0.80 JAK2 (0.46) JAK2JAK1USP2LMNATHRB
SCHEMBL17144470 0.79 HDAC8 (0.58) BRD4LMNAMEN1ALDH1A1KMT2A
SCHEMBL5681214 0.77 TP53 (0.52) TP53GAAJAK2JAK1BRD4
SCHEMBL5569508 0.77 POLB (0.66) GAALMNAMEN1ALDH1A1KMT2A
SCHEMBL5679898 0.77 ALDH1A1 (0.43) TP53GAAJAK2JAK1BRD4
Hydrochloric Acid SCHEMBL5572688 0.76 POLB (0.65) GAALMNAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403249-B1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS KOWA CO (JP) 2006-03-15 EP disclosed
EP-1403249-A1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6509329-B1 Inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation KOWA CO., LTD. (JP) 2003-01-21 US disclosed