SCHEMBL24671788

SCHEMBL24671788

CCNCCOCCOCCOCCC(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GNAI3 P08754 3/20 0.33
▸ GNAO1 P09471 3/20 0.33
▸ GNAI1 P63096 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL25502168 0.95 GNAI3 (0.37) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL23484948 0.88 NPC1 (0.36) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL23594109 0.87 ALDH1A1 (0.36) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL25851958 0.85 ALDH1A1 (0.36) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL8283986 0.84 NPC1 (0.42) NPC1KMT2AGNAI3GNAO1GNAI1
SCHEMBL26804302 0.84 ALDH1A1 (0.40) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL25030012 0.83 NPC1 (0.39) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL26221592 0.83 NPC1 (0.39) NPC1MEN1KMT2AGNAI3GNAO1
SCHEMBL26707720 0.83 CACNA1G (0.41) MEN1KMT2AALDH1A1CACNA1G
SCHEMBL23484939 0.82 GNAI3 (0.38) NPC1MEN1KMT2AGNAI3GNAO1

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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