SCHEMBL5201228

SCHEMBL5201228

COc1cc(-c2cc(CN(CCO[Si](C)(C)C(C)(C)C)[C@H](C(N)=O)C(C)C)ccn2)cc(OC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.33
TUBB1 Q9H4B7 1/20 0.32
TP53 P04637 1/20 0.32
NEK2 P51955 5/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
REN P00797 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FKBP1A P62942 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
HDAC1 Q13547 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL5201979 1.00 LOXL2 (0.33) LOXL2TUBB1TP53NEK2KDM4E
SCHEMBL5202421 0.92 EGFR (0.33) LOXL2TUBB1TP53NEK2KDM4E
SCHEMBL5202589 0.89 AAK1 (0.32) LOXL2TP53NEK2KDM4EALDH1A1
SCHEMBL5205418 0.85 LMNA (0.36) TP53KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5200328 0.83 HCRTR2 (0.35) LOXL2TP53NEK2KDM4EALDH1A1
SCHEMBL5203311 0.72 GAA (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL4122811 0.67 LOXL2 (0.53) LOXL2ALDH1A1GAAMAPTFYN
SCHEMBL13813556 0.66 PTGS2 (0.53) TUBB1ALDH1A1GAAMAPT
SCHEMBL4109868 0.65 FYN (0.50) ALDH1A1GAAMAPTFYN
SCHEMBL4120272 0.63 GAA (0.46) KDM4EALDH1A1GAAMAPTFYN

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-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP 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