SCHEMBL28114461

SCHEMBL28114461

CCCCCCCc1nncn1CCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.39
TBXAS1 P24557 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AMPD1 P23109 2/20 0.36
AMPD2 Q01433 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
KCNH2 Q12809 1/20 0.35
FAAH O00519 1/20 0.35
SLC9A1 P19634 2/20 0.35
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 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
SCHEMBL1083103 0.98 TLR8 (0.40) TLR8TBXAS1ALDH1A1TDP1AMPD1
SCHEMBL5274280 0.89 ALDH1A1 (0.39) TLR8ALDH1A1AMPD2TSHRHSD11B1
SCHEMBL12020590 0.85 SPNS2 (0.38) TBXAS1ALDH1A1TDP1KCNH2TSHR
SCHEMBL5278999 0.85 ALDH1A1 (0.39) TLR8ALDH1A1AMPD2SLC9A1TSHR
SCHEMBL5277565 0.79 ALDH1A1 (0.36) ALDH1A1KCNH2HSD11B1SPNS2
SCHEMBL5283248 0.79 ALDH1A1 (0.40) TLR8ALDH1A1AMPD2SLC9A1TSHR
SCHEMBL5279872 0.77 ADORA2A (0.33) HSD11B1
SCHEMBL5657308 0.76 AMPD2 (0.38) TLR8ALDH1A1AMPD1AMPD2TSHR
SCHEMBL11619066 0.76 TLR8 (0.51) TLR8ALDH1A1TDP1
SCHEMBL11381033 0.76 TLR8 (0.40) TLR8TBXAS1ALDH1A1TDP1AMPD1

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-105593331-B Composition for polishing 福吉米株式会社 2019-02-22 CN disclosed
CN-106133104-A Composition for polishing 福吉米株式会社 2016-11-16 CN disclosed