SCHEMBL5450580

SCHEMBL5450580

CCCCn1nnc(-c2ccc(C)cc2)c1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SLC9A1 P19634 4/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35

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
SCHEMBL5457443 0.96 TLR8 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5455441 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5460452 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5467151 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5460337 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5454878 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5457727 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5460407 0.94 SLC9A1 (0.43) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5451187 0.91 ALDH1A1 (0.40) MEN1KMT2ASLC9A1HTTNPC1
SCHEMBL5447171 0.89 MEN1 (0.40) MEN1KMT2ASLC9A1HTTNPC1

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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