SCHEMBL5453438

SCHEMBL5453438

CCCc1cc2[nH]nnc2c(C)c1N

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
AR P10275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5465512 0.91 TLR8 (0.33) NOS2
SCHEMBL5455695 0.90 TLR8 (0.35) KDM4EALDH1A1
SCHEMBL5459879 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL5449224 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL27730992 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL5455650 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL5460077 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL5447126 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL5450965 0.88 TLR8 (0.34) KDM4EALDH1A1
SCHEMBL27751485 0.88 TLR8 (0.34) KDM4EALDH1A1

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