SCHEMBL22762149

SCHEMBL22762149

CCCNCCCn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.38
DAO P14920 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
QPCT Q16769 1/20 0.33
LMNA P02545 1/20 0.33
CSNK2A2 P19784 1/20 0.33
FGFR2 P21802 1/20 0.33
KDR P35968 1/20 0.33
CSNK1A1 P48729 1/20 0.33

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
SCHEMBL22762289 0.93 TLR8 (0.49) TLR8TLR7MITFPOLBMEN1
SCHEMBL22762248 0.87 MITF (0.41) TLR8TLR7MITFPOLBMEN1
SCHEMBL10685285 0.86 ALDH1A1 (0.45) TLR8TLR7MITFPOLBMEN1
SCHEMBL22267930 0.82 ALDH1A1 (0.45) TLR8TLR7MITFPOLBKDM4E
SCHEMBL28655496 0.82 ALDH1A1 (0.45) TLR8TLR7MITFPOLBKDM4E
SCHEMBL2284058 0.81 TLR8 (0.42) TLR8TLR7MITFPOLBMEN1
SCHEMBL22762039 0.81 L3MBTL1 (0.39) TLR8TLR7MITFPOLBMEN1
SCHEMBL796651 0.80
Hydrochloric Acid SCHEMBL6736377 0.78 TLR8 (0.44) TLR8TLR7POLBKMT2ADAO
Bromide SCHEMBL556174 0.78 TLR8 (0.44) TLR8TLR7POLBKMT2AKDM4E

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
WO-2022120207-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-06-09 WO disclosed
WO-2020247860-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-10 WO disclosed