SCHEMBL21301367

SCHEMBL21301367

CN(C)C1C2CN(c3ccc4cc(-c5cn6cccnc6n5)c(=O)oc4c3)CC21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.60
KDM4E B2RXH2 14/20 0.60
RAB9A P51151 11/20 0.60
NPC1 O15118 10/20 0.60
GAA P10253 10/20 0.60
HPGD P15428 8/20 0.60
MAPT P10636 6/20 0.60
HSD17B10 Q99714 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
TP53 P04637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL15086433 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL16669672 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL16669673 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15068718 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL16674757 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15069010 0.83 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15066894 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15068781 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15066701 0.82 ALDH1A1 (0.66) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL16669531 0.82 TP53 (0.37) ALDH1A1KDM4ERAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed