SCHEMBL7532016

SCHEMBL7532016

Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(C)c1OC(=O)c1c2ccccc2nc2cc3ccccc3c(OCCN(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.36
KCNH2 Q12809 1/20 0.36
POLR1A O95602 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TNKS O95271 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TLR9 Q9NR96 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G1B P04054 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7118784 0.82 KDM4E (0.40) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL8441018 0.82 POLR1A (0.34) TACR3KCNH2POLR1AKDM4ETLR9
SCHEMBL7533773 0.81 LMNA (0.38) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL7533878 0.78 POLR1A (0.46) TACR3KCNH2POLR1ATNKSKDM4E
SCHEMBL7532790 0.77 TACR3 (0.47) TACR3KCNH2POLR1ATNKSKDM4E
SCHEMBL7538135 0.73 PLA2G2A (0.41) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL9317254 0.70 KDM4E (0.40) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL641602 0.69 ACHE (0.32) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL4413030 0.69 RAB9A (0.39) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL12088068 0.68 HRH3 (0.41) TACR3KCNH2KDM4EALDH1A1MEN1

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-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed