SCHEMBL13660421

SCHEMBL13660421

c1ccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc3c(N(c4ccccc4)c4ccccc4)nc(N(c4ccccc4)c4ccccc4)nc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.35
MAPK1 P28482 2/20 0.35
XBP1 P17861 1/20 0.35
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPY5R Q15761 2/20 0.35
CYP3A4 P08684 1/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34

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
SCHEMBL9350804 0.83 ALDH1A1 (0.57) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL10325039 0.74 ALDH1A1 (0.52) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL11509348 0.73 ALDH1A1 (0.59) ALDH1A1TDP1MAPTLMNAKMT2A
SCHEMBL31528560 0.70 MAPT (0.54) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL581128 0.70 MAPT (0.54) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL77495 0.69 ALDH1A1 (0.70) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL11589382 0.67 MAPT (0.48) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL28451008 0.67 MAPT (0.66) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
Diphenylamine SCHEMBL11210154 0.67 HSD17B10 (0.67) ALDH1A1TDP1MAPTRAB9ATSHR
SCHEMBL7940127 0.66 NPY5R (0.63) ALDH1A1MAPTLMNAJAK2KMT2A

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-1501821-B1 NEW ORGANIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME LG CHEMICAL LTD (KR) 2016-07-20 EP disclosed
US-7604874-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-10-20 US disclosed
US-7485733-B2 Organic compounds for electroluminescence and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2009-02-03 US disclosed