SCHEMBL2767252

SCHEMBL2767252

COc1cc(-c2cc(CN3CCCN(Cc4cc(-c5cc(OC)c(OC)c(OC)c5)on4)CC3)no2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
ROCK2 O75116 1/20 0.46
CHEK2 O96017 1/20 0.46
CDK1 P06493 1/20 0.46
PRKACA P17612 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
RPS6KA3 P51812 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45

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
SCHEMBL2765382 0.96 TP53 (0.49) KDM4ETP53GAAAURKADAPK3
SCHEMBL2765186 0.78 HTR7 (0.57) KDM4EALDH1A1TDP1KCNH2
SCHEMBL2763829 0.77 NOTUM (0.53) KDM4ETP53AURKADAPK3PRKACA
SCHEMBL2765509 0.77 CYP3A4 (0.45) KDM4ETP53ALDH1A1MEN1KMT2A
SCHEMBL2764403 0.77 DRD2 (0.49) KDM4ETP53GAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL2765800 0.75 KDM4E (0.48) KDM4ETP53GAAALDH1A1MEN1
SCHEMBL5683281 0.75 KDM4E (0.48) KDM4ETP53GAAALDH1A1MEN1
SCHEMBL2766065 0.75 KDM4E (0.48) KDM4ETP53GAAALDH1A1MEN1
SCHEMBL2763970 0.74 KDM4E (0.49) KDM4ETP53GAAALDH1A1MEN1
SCHEMBL5682153 0.73 TP53 (0.49) KDM4ETP53GAAALDH1A1MEN1

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-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed