SCHEMBL18488955

SCHEMBL18488955

CCCCCCCCn1nnc(-c2ccccc2)c1CN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 4/20 0.50
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ TLR8 Q9NR97 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ SMPD1 P17405 1/20 0.40

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
SCHEMBL5460452 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5455441 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5460337 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5467151 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5460407 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5457727 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5454878 0.88 SLC9A1 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL5457443 0.86 TLR8 (0.43) SLC9A1MAPTMEN1CYP1A2KMT2A
SCHEMBL27636024 0.83 SLC9A1 (0.47) SLC9A1MAPTTLR8HDAC8
SCHEMBL27657025 0.83 SLC9A1 (0.47) SLC9A1MAPTTLR8HDAC8

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-9994531-B2 Antioxidant compositions and lubricating compositions containing the same VANDERBILT CHEMICALS, LLC (US) 2018-06-12 — — US disclosed
US-20170044455-A1 ANTIOXIDANT COMPOSITIONS AND LUBRICATING COMPOSITIONS CONTAINING THE SAME VANDERBILT CHEMICALS, LLC (US) 2017-02-16 — — US disclosed
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