SCHEMBL3763928

SCHEMBL3763928

CC(C)Sc1cc(C=NO)nc2c1ccc1cccnc12.CCCSc1cc(C=NO)nc2c1ccc1cccnc12.CCOc1cc(C=NO)nc2c1ccc1cccnc12.COCCOc1cc(C=NO)nc2c1ccc1cccnc12.NCCOc1cc(C=NO)nc2c1ccc1cccnc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KDR P35968 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
SCHEMBL3752422 0.95
SCHEMBL3751652 0.89
SCHEMBL2806927 0.79 MEN1 (0.40) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2806930 0.79 MEN1 (0.40) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2809962 0.79 KDM4E (0.38) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2809964 0.79 KDM4E (0.38) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2805058 0.78 HSP90AA1 (0.37) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2805054 0.78 HSP90AA1 (0.37) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2808446 0.78 KDM4E (0.39) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL2808443 0.78 KDM4E (0.39) KDM4EALDH1A1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170464-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-04-07 EP disclosed
WO-2008152068-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2008-12-18 WO disclosed