SCHEMBL9406767

SCHEMBL9406767

Nc1ccc(O)c2nc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 4/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 3/20 0.56
GLA P06280 3/20 0.56
NPC1 O15118 2/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
PTBP1 P26599 1/20 0.56
RCE1 Q9Y256 1/20 0.56
CYP1A2 P05177 1/20 0.51
IDO1 P14902 3/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
PSMB5 P28074 1/20 0.46
HDAC3 O15379 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2B Q92831 1/20 0.46

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
SCHEMBL28173166 0.85 KMT2A (0.63) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL9227657 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL2392620 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL4903727 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL9385710 0.76 GAA (0.51) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL9406598 0.76 TLR8 (0.57) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL9042231 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL9039144 0.74 ALDH1A1 (0.62) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL17846912 0.74 IDO1 (0.61) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL26749714 0.72 ALDH1A1 (0.62) ALDH1A1KMT2AGAAHPGDKDM4E

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-0328535-B1 THE ADMINISTRATION OF MONOAMINE ACRIDINES IN CHOLINERGIC NEURONAL DEFICIT STATES SUMMERS WILLIAM KOOPMANS (US) 1994-06-01 EP disclosed
EP-0595365-A1 Pharmaceutical composition for the treatment of underlying nonpharmacologically induced nervous system cholinergic deficit state comprising monoamine acridine derivatives Summers, William Koopmans (US) 1994-05-04 EP disclosed
US-4816456-A Administration of monoamine acridines in cholinergic neuronal deficit states SUMMERS WILLIAM K (US) 1989-03-28 US disclosed