SCHEMBL9583264

SCHEMBL9583264

Nc1c2c(nc3c1COCC3)CCCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.67
MAPK1 P28482 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
BPTF Q12830 1/20 0.64
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
BCHE P06276 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 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
Octaaminoacridine SCHEMBL12507982 0.82 ACHE (1.00) ACHEMAPK1MEN1KMT2ABPTF
Ipidacrine SCHEMBL29382648 0.80 ACHE (1.00) ACHEMAPK1MEN1KMT2ABPTF
Ipidacrine SCHEMBL28251 0.80 ACHE (1.00) ACHEMAPK1MEN1KMT2ABPTF
Ipidacrine SCHEMBL7536973 0.78 ACHE (0.95) ACHEMAPK1MEN1KMT2ABPTF
Ipidacrine SCHEMBL1032513 0.78 ACHE (0.95) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL20681035 0.77 ACHE (0.95) ACHEMAPK1MEN1KMT2ABPTF
Ipidacrine SCHEMBL6633743 0.76 ACHE (0.91) ACHEMAPK1MEN1KMT2ABPTF
Ipidacrine SCHEMBL29751898 0.76 ACHE (0.91) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL22021195 0.73 ACHE (0.86) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL30162181 0.73 ACHE (0.86) ACHEMAPK1MEN1KMT2ABPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202440-A Certain 9-amino-2-(or 4)-oxa 1,2,3,4-tetrahydro- or 1,2,3,4,5,6,7,8-octahydro-acridines PFIZER INC. (US) 1993-04-13 US disclosed
CN-1032440-A The 4-aminopyridine derivatives class PFIZER (US) 1989-04-19 CN disclosed
EP-0311303-A2 4-aminopyridine derivatives PFIZER INC. (US) 1989-04-12 EP disclosed
WO-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 WO disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 WO disclosed