SCHEMBL5200328

SCHEMBL5200328

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SYK P43405 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
NEK2 P51955 1/20 0.32
CASR P41180 2/20 0.32

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
SCHEMBL5202421 0.84 EGFR (0.33) TP53ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5201228 0.83 LOXL2 (0.33) TP53ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5201979 0.83 LOXL2 (0.33) TP53ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5202589 0.81 AAK1 (0.32) TP53ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5205418 0.80 LMNA (0.36) TP53ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5203311 0.75 GAA (0.43) ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6787664 0.69 DUT (0.30)
SCHEMBL4109868 0.68 FYN (0.50) ALDH1A1GAASYK
SCHEMBL4122811 0.68 LOXL2 (0.53) ALDH1A1GAASYKLOXL2
SCHEMBL13813556 0.66 PTGS2 (0.53) ALDH1A1GAASYK

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