SCHEMBL5683281

SCHEMBL5683281

COc1cc(-c2ccnc(CN3CCCN(Cc4cc(-c5cc(OC)c(OC)c(OC)c5)ccn4)CC3)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.43
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GAA P10253 1/20 0.40
GAK O14976 1/20 0.40
SYK P43405 1/20 0.40
ACKR3 P25106 1/20 0.40
SLC29A1 Q99808 1/20 0.40
CXCR4 P61073 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
SCHEMBL5683622 0.96 TGFBR1 (0.45) KDM4ETGFBR1ACVR1TP53MEN1
SCHEMBL5682153 0.82 TP53 (0.49) KDM4EPOLBTGFBR1ACVR1TP53
SCHEMBL4763891 0.79 KDM4E (0.53) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL5681214 0.78 TP53 (0.52) KDM4EPOLBTGFBR1ACVR1TP53
SCHEMBL7159444 0.77 DRD4 (0.49) KDM4EHCRTR1HCRTR2SLC29A1CXCR4
SCHEMBL12962167 0.77 DRD4 (0.62) KDM4ETDP1HCRTR1HCRTR2ACKR3
SCHEMBL2765186 0.77 HTR7 (0.57) KDM4EALDH1A1TDP1ACKR3
SCHEMBL5679807 0.77 KDM4E (0.61) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL5681143 0.76 SYK (0.47) KDM4EALDH1A1GAKSYK
SCHEMBL5679879 0.76 SYK (0.47) KDM4EALDH1A1TDP1GAKSYK

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