SCHEMBL22792023

SCHEMBL22792023

COc1cncc(NCC2CCOC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.42
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ CDK9 P50750 3/20 0.37
▸ FYN P06241 1/20 0.36
▸ CCNK O75909 2/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ TTK P33981 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ TRPC5 Q9UL62 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL22792321 0.92 CCNT1 (0.38) CCNT1PDCD1CD274CDK9IRAK1
SCHEMBL22792031 0.92 CCNT1 (0.48) CCNT1CDK9FYNCCNKKDR
SCHEMBL22792629 0.81 MEN1 (0.42) CCNT1FYNPDE5A
SCHEMBL12501667 0.75 CCNT1 (0.44) CCNT1PDCD1CD274CDK9IRAK1
SCHEMBL22792032 0.74 EHMT2 (0.45) CCNT1
SCHEMBL16040798 0.73 CCNT1 (0.49) CCNT1CDK9CCNKKDR
SCHEMBL1192676 0.73 CCNT1 (0.55) CCNT1CDK9CCNKKDR
SCHEMBL23759644 0.66 HRH3 (0.34) —
SCHEMBL23759828 0.66 PIM2 (0.36) —
SCHEMBL21138657 0.66 IRAK1 (0.42) CCNT1IRAK1TTKLRRK2TRPC5

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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