SCHEMBL5202347

SCHEMBL5202347

COC(=O)CNCc1ccnc(-c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
HDAC1 Q13547 1/20 0.41
BRD4 O60885 2/20 0.39
NEK2 P51955 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
TP53 P04637 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
SCHEMBL14380785 0.85 KCNH2 (0.40) MEN1KMT2AHDAC1LOXL2
SCHEMBL5201716 0.82 CD274 (0.52) GAAKDM4ESMN1; SMN2
SCHEMBL4131157 0.82 GAA (0.50) GAABRD4
SCHEMBL4109868 0.79 FYN (0.50) GAAADORA3BRD4
SCHEMBL13813556 0.77 PTGS2 (0.53) GAAMEN1KMT2ABRD4
SCHEMBL5679901 0.76 KMT2A (0.47) KDM4EMEN1KMT2ANEK2
SCHEMBL4122811 0.76 LOXL2 (0.53) GAABRD4LOXL2
SCHEMBL4120272 0.76 GAA (0.46) GAAKDM4EBRD4
SCHEMBL6168415 0.76 ALDH1A1 (0.55) SMN1; SMN2
SCHEMBL5679827 0.74 TUBB1 (0.45) GAABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
CN-1309720-C Piperazine compounds KOWA CO (JP) 2007-04-11 CN disclosed
CN-1520408-A Piperazine compounds ������������ʽ���� 2004-08-11 CN disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed