SCHEMBL5457443

SCHEMBL5457443

CCCCCn1nnc(-c2ccc(C)cc2)c1CN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.43
▸ SLC9A1 P19634 4/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL5460337 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5455441 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5454878 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5467151 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5460407 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5460452 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5457727 0.99 SLC9A1 (0.43) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5450580 0.96 MEN1 (0.42) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5451187 0.90 ALDH1A1 (0.40) TLR8SLC9A1MEN1KMT2ANPC1
SCHEMBL5455753 0.89 TLR8 (0.41) TLR8SLC9A1MEN1KMT2ANPC1

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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