SCHEMBL5433713

SCHEMBL5433713

CCCNC(C)n1nnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 6/20 0.49
▸ SLC9A1 P19634 7/20 0.47
▸ KEAP1 Q14145 1/20 0.42
▸ ASAH1 Q13510 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ THPO P40225 1/20 0.39

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
SCHEMBL5430545 0.91 CYP4Z1 (0.57) CYP4Z1SLC9A1KEAP1ASAH1POLB
SCHEMBL5426873 0.90 CYP4Z1 (0.57) CYP4Z1SLC9A1KEAP1ASAH1
SCHEMBL5421144 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL5418042 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL5429113 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL5428691 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL5425745 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL5429039 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL5425508 0.89 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1CYP1A2
SCHEMBL28194460 0.79 CYP4Z1 (0.47) CYP4Z1SLC9A1ASAH1POLBALDH1A1

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
US-8083965-B2 Refrigerating machine oil NIPPON OIL CORPORATION (JP) 2011-12-27 — — US disclosed
US-20070275865-A1 Refrigerating Machine Oil NIPPON OIL CORPORATION (JP) 2007-11-29 — — US disclosed
US-20070257229-A1 Refrigerating Machine Oil Composition NIPPON OIL CORPORATION (JP) 2007-11-08 — — US disclosed
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