SCHEMBL4726086

SCHEMBL4726086

COc1cc(NCCCC(C)N)c2nc(C(C)C)ccc2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAD52 P43351 2/20 0.48
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 4/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP2 O95551 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FGB P02675 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
NR4A1 P22736 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6268701 0.90 MEN1 (0.49) MEN1KMT2ARAD52HSP90AA1HSP90AB1
SCHEMBL6268423 0.85 MEN1 (0.47) MEN1KMT2ARAD52HSP90AA1HSP90AB1
SCHEMBL4727652 0.81 MEN1 (0.43) MEN1KMT2ARAD52HSP90AA1HSP90AB1
SCHEMBL5080779 0.78 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL4728398 0.75 MEN1 (0.47) MEN1KMT2ARAD52HSP90AA1HSP90AB1
SCHEMBL6288597 0.74 MEN1 (0.45) MEN1KMT2ARAD52HSP90AA1HSP90AB1
SCHEMBL6274163 0.74 MEN1 (0.62) MEN1KMT2ARAD52HSP90AA1HSP90AB1
SCHEMBL4729403 0.73 SLC10A2 (0.38) MEN1KMT2ARAD52KDM4EALDH1A1
SCHEMBL6288073 0.71 MEN1 (0.43) MEN1KMT2ARAD52HSP90AA1HSP90AB1
Phosphoric Acid SCHEMBL11545454 0.70 RAD52 (0.50) MEN1KMT2ARAD52HSP90AA1HSP90AB1

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed