SCHEMBL5203311

SCHEMBL5203311

COc1cc(-c2cc(CNCCO[Si](C)(C)C(C)(C)C)ccn2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BRD4 O60885 4/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
KCNH2 Q12809 1/20 0.34
FYN P06241 1/20 0.33

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
SCHEMBL5201716 0.80 CD274 (0.52) GAAALDH1A1KDM4EGLAPDCD1
SCHEMBL4131157 0.77 GAA (0.50) GAAALDH1A1NPC1MAPTBRD4
SCHEMBL5200328 0.75 HCRTR2 (0.35) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL5202347 0.74 GAA (0.47) GAAKDM4EBRD4SMN1; SMN2
SCHEMBL5202421 0.74 EGFR (0.33) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13813556 0.73 PTGS2 (0.53) GAAALDH1A1NPC1MAPTBRD4
SCHEMBL5201979 0.72 LOXL2 (0.33) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5201228 0.72 LOXL2 (0.33) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4109868 0.72 FYN (0.50) GAAALDH1A1NPC1MAPTBRD4
SCHEMBL4120272 0.72 GAA (0.46) GAAALDH1A1KDM4ENPC1MAPT

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