SCHEMBL9227657

SCHEMBL9227657

Cc1ccc(N)c2cc3ccccc3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 3/20 0.56
GLA P06280 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
PTBP1 P26599 1/20 0.56
RCE1 Q9Y256 1/20 0.56
TDP1 Q9NUW8 1/20 0.44
BACE1 P56817 1/20 0.43
NCF1 P14598 1/20 0.43
MAPT P10636 4/20 0.42
IDO1 P14902 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 3/20 0.41

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
SCHEMBL30543767 0.85 TDP1 (0.50) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL11981379 0.85 TDP1 (0.50) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL28173166 0.85 KMT2A (0.63) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL12330692 0.79 TDP1 (0.44) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL9406767 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL27961733 0.79 RAD52 (0.48) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL9385710 0.79 GAA (0.51) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL9406598 0.79 TLR8 (0.57) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL22597831 0.75 TDP1 (0.52) ALDH1A1KMT2AKDM4EGAAHPGD
SCHEMBL15624645 0.75 TDP1 (0.47) ALDH1A1KMT2AKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO claimed
US-5432172-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-07-11 US disclosed
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
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO disclosed
US-5278168-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERISTY OF NEW YORK (US) 1994-01-11 US disclosed
US-4816456-A Administration of monoamine acridines in cholinergic neuronal deficit states SUMMERS WILLIAM K (US) 1989-03-28 US disclosed