SCHEMBL14082011

SCHEMBL14082011

c1ccc2nc3c(cc2c1)CCc1cc2ccccc2nc1-3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MAPT P10636 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 3/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
HSD17B10 Q99714 2/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 6/20 0.54
GLA P06280 4/20 0.54
HPGD P15428 4/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL15886688 0.86 KDM4E (0.75) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL29479235 0.86 KDM4E (0.74) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL28373617 0.86 NPC1 (0.50) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL8209185 0.86 KDM4E (0.74) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL28592078 0.86 MAPT (0.50) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL29993467 0.86 MAPT (0.50) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL19618088 0.83 ATM (0.47) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL7585768 0.80 PARP11 (0.46) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL28981243 0.80 ALDH1A1 (0.52) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL882702 0.79 MAPT (0.47) KDM4ENPC1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7413818-B2 Light-emitting device CANON KABUSHIKI KAISHA (JP) 2008-08-19 US disclosed
US-7413818-B2 Light-emitting device CANON KABUSHIKI KAISHA (JP) 2008-08-19 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed