SCHEMBL5457445

SCHEMBL5457445

CCCCCN1NC(c2ccccc2C)=C(C)N1N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.43
▸ ICMT O60725 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ CES1 P23141 2/20 0.34
▸ CDC25A P30304 1/20 0.34
▸ EPHB4 P54760 2/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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 0.99 TLR8 (0.42) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5450583 0.96 TLR8 (0.39) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5455758 0.86 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5449259 0.85 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5459334 0.85 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5459870 0.85 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5453090 0.85 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5453416 0.85 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
SCHEMBL5455723 0.85 TLR8 (0.41) TLR8ICMTALDH1A1ALDH2ALDH3A1
O-Xylene SCHEMBL10970480 0.62 TSHR (0.62) ALDH1A1CA9MAPT

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
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
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