SCHEMBL5457732

SCHEMBL5457732

CCCCCCCCCCN1NC(c2ccccc2C)=C(C)N1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.42
▸ ICMT O60725 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ EPHB4 P54760 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH2 P05091 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ SETD7 Q8WTS6 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL5467156 1.00 TLR8 (0.42) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5454881 1.00 TLR8 (0.42) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5460413 1.00 TLR8 (0.42) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5457445 0.99 TLR8 (0.43) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5450583 0.94 TLR8 (0.39) TLR8ICMTEPHB4ALDH1A1ALDH2
SCHEMBL5450977 0.87 TLR8 (0.41) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5455723 0.87 TLR8 (0.41) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5453416 0.87 TLR8 (0.41) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5449259 0.87 TLR8 (0.41) TLR8ICMTCES1CDC25AEPHB4
SCHEMBL5459870 0.87 TLR8 (0.41) TLR8ICMTCES1CDC25AEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796193-B2 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2014-08-05 — — US disclosed
US-20070155635-A1 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2007-07-05 — — US disclosed
CN-1214093-C Turbine oil composition NIPPON MITSUBISHI OIL CORP (JP) 2005-08-10 — — CN disclosed
CN-1227258-A Turbine oil composition NIPPON OIL CO LTD (JP) 1999-09-01 — — CN disclosed
Send feedback