SCHEMBL30159403

SCHEMBL30159403

Brc1cc2ccccc2nc1NCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
PDE5A O76074 2/20 0.45
APP P05067 1/20 0.44
PDE10A Q9Y233 1/20 0.43
SOS1 Q07889 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRIM58 Q8NG06 1/20 0.40
GBA1 P04062 1/20 0.40
ADORA2A P29274 1/20 0.38
HTR2B P41595 1/20 0.38
MAP4K4 O95819 1/20 0.38
BACE1 P56817 1/20 0.38
ADRA2A P08913 1/20 0.37
NPY5R Q15761 1/20 0.37
MCHR1 Q99705 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL18572137 0.81 TLR7 (0.36) TLR7PDE5AAPPPDE10ASOS1
SCHEMBL22002181 0.81 KDM4E (0.45) TLR7PDE5AMEN1KMT2AALDH1A1
SCHEMBL28327449 0.72 ALDH1A1 (0.46) KMT2AALDH1A1GLAMAPTHPGD
SCHEMBL27188777 0.71 USP30 (0.63) TLR7PDE5AAPPMEN1KMT2A
SCHEMBL18572136 0.70 SOS1 (0.38) TLR7SOS1TRIM58ADORA2AHTR2B
SCHEMBL22002290 0.70 TLR7 (0.39) TLR7APPPDE10ASOS1MEN1
SCHEMBL31542517 0.69 APP (0.42) TLR7PDE5AAPPMEN1KMT2A
SCHEMBL29523642 0.68 APP (0.55) APPPDE10AMEN1KMT2AALDH1A1
SCHEMBL8890678 0.67 TLR7 (0.64) TLR7PDE5AAPPSOS1MEN1
SCHEMBL15067599 0.66 PTGER4 (0.51) GBA1BACE1UTS2RMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001133-A1 PRMT5 INHIBITOR 上海齐鲁制药研究中心有限公司 2023-01-26 WO disclosed