SCHEMBL9406798

SCHEMBL9406798

COc1cccc2nc3cccc(N)c3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
PTBP1 P26599 1/20 0.56
RCE1 Q9Y256 1/20 0.56
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
NQO2 P16083 5/20 0.47
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.46
G6PD P11413 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
SCHEMBL9406846 0.84 POLB (0.50) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL17942857 0.81 PDE3B (0.51) POLBALDH1A1KDM4ERAB9ANPC1
SCHEMBL240664 0.79 NQO2 (0.57) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL5747064 0.79 ALDH1A1 (0.50) POLBALDH1A1KDM4ERAB9AKMT2A
Hydrochloric Acid SCHEMBL15271481 0.77 NQO2 (0.56) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL3968654 0.77 NQO2 (0.50) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL5749415 0.77 NQO1 (0.53) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL10333544 0.76 PDE3B (0.57) POLBALDH1A1KDM4ERAB9AKMT2A
Hydrochloric Acid SCHEMBL32690198 0.76 NQO2 (0.54) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL9406609 0.76 ALDH1A1 (0.60) POLBALDH1A1KDM4ERAB9AKMT2A

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