SCHEMBL25408317

SCHEMBL25408317

CCCCCCCCCCCCC(CCCCCCCCCCC)NCCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.45
GNAI3 P08754 6/20 0.45
GNAI1 P63096 6/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CXCR4 P61073 1/20 0.38
SOD3 P08294 2/20 0.37
RAD52 P43351 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 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
SCHEMBL31729661 1.00 GNAO1 (0.45) GNAO1GNAI3GNAI1MEN1KMT2A
SCHEMBL13976317 1.00 GNAO1 (0.45) GNAO1GNAI3GNAI1MEN1KMT2A
SCHEMBL13976316 0.89 GNAI3 (0.43) GNAO1GNAI3GNAI1
SCHEMBL15805642 0.89 GNAI3 (0.43) GNAO1GNAI3GNAI1
SCHEMBL26939746 0.88 GNAO1 (0.41) GNAO1GNAI3GNAI1MEN1KMT2A
SCHEMBL20738848 0.85 CARM1 (0.47) GNAO1GNAI3GNAI1ALDH1A1
SCHEMBL19867108 0.85 CARM1 (0.47) GNAO1GNAI3GNAI1ALDH1A1
SCHEMBL19101393 0.85 CARM1 (0.47) GNAO1GNAI3GNAI1ALDH1A1
SCHEMBL20355889 0.84 GNAI3 (0.40) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL18799880 0.84 GNAI3 (0.40) GNAO1GNAI3GNAI1TLR8TLR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137550-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF COVID-19 PROVIDENCE THERAPEUTICS HOLDINGS INC. (CA) 2023-07-27 WO disclosed