SCHEMBL28155296

SCHEMBL28155296

Nc1nc2ccccc2cc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.50
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
GAA P10253 4/20 0.50
IKBKB O14920 1/20 0.49
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 2/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTR3A P46098 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PTBP1 P26599 1/20 0.41
RCE1 Q9Y256 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
SCHEMBL807146 0.78 TLR8 (0.55) TLR8ALDH1A1KDM4EGAAIKBKB
SCHEMBL15845644 0.77 TLR8 (0.56) TLR8ALDH1A1KDM4EGAAIKBKB
SCHEMBL10859840 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL27860753 0.76 KMT2A (0.50) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL29188858 0.76 TSHR (0.42) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL1975113 0.72 NCF1 (0.51) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL11539058 0.70 TDP1 (0.49) TLR8ALDH1A1KDM4EGAAHPGD
SCHEMBL29454362 0.70 TLR8 (0.57) TLR8ALDH1A1KDM4EGAAIKBKB
SCHEMBL359102 0.70 TLR8 (0.57) TLR8ALDH1A1KDM4EGAAIKBKB
Acridine SCHEMBL27860754 0.70 ALDH1A1 (0.71) TLR8ALDH1A1KDM4EGAAIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106699755-B A kind of aza-acridine class compound and preparation method thereof and purposes 清华大学深圳研究生院 2018-09-21 CN disclosed
CN-106699755-A Aza-acridine compound and preparation method and application thereof 清华大学深圳研究生院 2017-05-24 CN disclosed