SCHEMBL27636024

SCHEMBL27636024

CCCCCCCCCCCCn1nnc(-c2ccccc2C)c1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 4/20 0.47
▸ TLR8 Q9NR97 2/20 0.43
▸ DPP4 P27487 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL27657025 1.00 SLC9A1 (0.47) SLC9A1TLR8DPP4ALDH1A1LMNA
SCHEMBL27636059 1.00 SLC9A1 (0.47) SLC9A1TLR8DPP4ALDH1A1LMNA
SCHEMBL18488955 0.83 SLC9A1 (0.50) SLC9A1TLR8HDAC8MAPT
SCHEMBL27358659 0.80 DPP4 (0.39) SLC9A1TLR8DPP4ALDH1A1IDO1
SCHEMBL5460452 0.79 SLC9A1 (0.43) SLC9A1TLR8ALDH1A1LMNAMAPT
SCHEMBL5460407 0.79 SLC9A1 (0.43) SLC9A1TLR8ALDH1A1LMNAMAPT
SCHEMBL5454878 0.79 SLC9A1 (0.43) SLC9A1TLR8ALDH1A1LMNAMAPT
SCHEMBL5467151 0.79 SLC9A1 (0.43) SLC9A1TLR8ALDH1A1LMNAMAPT
SCHEMBL5455441 0.79 SLC9A1 (0.43) SLC9A1TLR8ALDH1A1LMNAMAPT
SCHEMBL5457727 0.79 SLC9A1 (0.43) SLC9A1TLR8ALDH1A1LMNAMAPT

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
CN-100453627-C Refrigerating machine oil composition NIPPON OIL CORP (JP) 2009-01-21 — — CN disclosed
CN-1836030-A Refrigerating machine oil composition NIPPON OIL CORP (JP) 2006-09-20 — — CN disclosed
Send feedback