SCHEMBL28935906

SCHEMBL28935906

CCCCC(CC)CNCn1nc2ccc(C)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.40
PFKFB3 Q16875 1/20 0.38
NPY5R Q15761 1/20 0.35
TLR8 Q9NR97 2/20 0.34
KCNH2 Q12809 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 3/20 0.32
TLR7 Q9NYK1 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31

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
SCHEMBL25259621 0.80 TLR8 (0.34) TSHRALDH1A1CYP3A4KDM4EPFKFB3
SCHEMBL28935971 0.78 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4KDM4EPFKFB3
SCHEMBL6933333 0.77 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4KDM4EPFKFB3
SCHEMBL28935877 0.77 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4KDM4EPFKFB3
SCHEMBL729724 0.73 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4KDM4ETLR8
SCHEMBL10441589 0.73 LMNA (0.38) TSHRALDH1A1CYP3A4KDM4EPFKFB3
SCHEMBL7364726 0.70 MAPT (0.39) ALDH1A1KDM4ETLR8L3MBTL1MEN1
SCHEMBL14382270 0.69 TLR8 (0.52) TLR8L3MBTL1ADORA3TLR7NLRP3
SCHEMBL28388617 0.67 ALDH1A1 (0.64) TSHRALDH1A1CYP3A4KDM4EPFKFB3
SCHEMBL2580465 0.66 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4KDM4ETLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443325-B Lubricant composition and use thereof 克鲁勃润滑剂慕尼黑两合欧洲公司 2024-07-09 CN disclosed
CN-115443322-A Lubricant composition and use thereof 克鲁勃润滑剂慕尼黑两合欧洲公司 2022-12-06 CN disclosed
CN-115443325-A Lubricant composition and use thereof 克鲁勃润滑剂慕尼黑两合欧洲公司 2022-12-06 CN disclosed