SCHEMBL18153262

SCHEMBL18153262

Cc1cc(Nc2ccccc2C)nc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.53
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
PPARG P37231 1/20 0.47
RXRG P48443 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
LRRK2 Q5S007 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9877956 0.81 SLC2A1 (0.65) SLC2A1GAAPOLBTP53MAPK10
SCHEMBL31484197 0.80 SLC2A1 (0.47) SLC2A1GAATP53MAPK10KMT2A
SCHEMBL9878839 0.80 CYP1A2 (0.66) SLC2A1GAAPOLBTP53MAPK10
Hydrochloric Acid SCHEMBL9878054 0.80 SLC2A1 (0.64) SLC2A1GAAPOLBTP53MAPK10
SCHEMBL5309423 0.79 TTR (0.52) GAAPOLBKMT2AMEN1MAPT
SCHEMBL5483254 0.78 ABCG2 (0.69) SLC2A1KMT2AMEN1
SCHEMBL5309420 0.77 KDM4E (0.54) GAAPOLBKMT2AMEN1ATM
SCHEMBL15489512 0.77 MAPK10 (0.57) SLC2A1MAPK10HTTLRRK2MAPK11
SCHEMBL4595367 0.75 KDR (0.47) TP53MAPK10KMT2AMEN1LMNA
SCHEMBL10939229 0.75 TSHR (0.67) SLC2A1KMT2AMEN1MAPTLMNA

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
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed